Chemical Components in the PDB

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ARG : Summary

Code

ARG

One-letter code

R

Molecule name

ARGININE

Systematic names

ProgramVersionName
ACDLabs 10.04 amino{[(4S)-4-amino-4-carboxybutyl]amino}methaniminium
OpenEye OEToolkits 1.5.0 [amino-[[(4S)-4-amino-5-hydroxy-5-oxo-pentyl]amino]methylidene]azanium

Formula

C6 H15 N4 O2

Formal charge

1

Molecular weight

175.209 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CCCN\C(=[NH2+])N
SMILES CACTVS 3.341 N[CH](CCCNC(N)=[NH2+])C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(CC(C(=O)O)N)CNC(=[NH2+])N
Canonical SMILES CACTVS 3.341 N[C@@H](CCCNC(N)=[NH2+])C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N

IUPAC InChI

InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1

IUPAC InChI key

ODKSFYDXXFIFQN-BYPYZUCNSA-O

Is part of

0Q4 , 1ZD , 0HZ , E69 , KVI , 15U , MIT , 0ZI , MIU , QWE , KVS , 0E6 , 7YR
ARG

wwPDB Information

Atom count

27 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned



ARG : Atoms of Molecule

Total Number of Atoms: 27
Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C C C N N N 0 -0.907 2.521 -2.901
2 CA C CA S N N 0 0.0040 2.294 -1.708
3 CB C CB N N N 0 1.475 2.15 -2.127
4 CD C CD N N N 0 3.21 0.954 -3.557
5 CG C CG N N N 0 1.745 1.017 -3.13
6 CZ C CZ N N N 0 5.469 0.624 -2.528
7 H H H N N N 0 -0.058 0.903 -0.109
8 H2 H HN2 N N Y 0 -1.024 0.452 -1.494
9 HA H HA N N N 0 -0.103 3.152 -1.034
10 HB2 H 1HB N N N 0 2.086 1.988 -1.23
11 HB3 H 2HB N N N 0 1.814 3.099 -2.563
12 HD2 H 1HD N N N 0 3.348 0.133 -4.269
13 HD3 H 2HD N N N 0 3.505 1.88 -4.062
14 HE H HE N N N 0 3.674 0.627 -1.479
15 HG2 H 1HG N N N 0 1.136 1.17 -4.029
16 HG3 H 2HG N N N 0 1.447 0.054 -2.698
17 HH11 H 1HH1 N N N 0 7.271 0.331 -1.484
18 HH12 H 2HH1 N N N 0 5.858 0.307 -0.476
19 HH21 H 1HH2 N N N 0 5.53 0.906 -4.614
20 HH22 H 2HH2 N N N 0 7.088 0.675 -3.874
21 HXT H HXT N N Y 0 -1.149 3.855 -4.355
22 N N N N N N 0 -0.469 1.11 -0.993
23 NE N NE N N N 0 4.071 0.726 -2.421
24 NH1 N NH1 N N N 0 6.259 0.404 -1.405
25 NH2 N NH2 N N N 1 6.078 0.744 -3.773
26 O O O N N N 0 -1.827 1.789 -3.242
27 OXT O OXT N N Y 0 -0.588 3.659 -3.574



ARG : Chemical Bonds

Total Number of Bonds: 26
Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 N CA N C sing 1.46 N N
2 N H N H sing 1.0 N N
3 N H2 N H sing 1.0 N N
4 CA C C C sing 1.52 N N
5 CA CB C C sing 1.54 N N
6 CA HA C H sing 1.1 N N
7 C O C O doub 1.22 N N
8 C OXT C O sing 1.36 N N
9 CB CG C C sing 1.54 N N
10 CB HB2 C H sing 1.1 N N
11 CB HB3 C H sing 1.1 N N
12 CG CD C C sing 1.53 N N
13 CG HG2 C H sing 1.1 N N
14 CG HG3 C H sing 1.1 N N
15 CD NE C N sing 1.44 N N
16 CD HD2 C H sing 1.1 N N
17 CD HD3 C H sing 1.1 N N
18 NE CZ N C sing 1.41 N N
19 NE HE N H sing 1.03 N N
20 CZ NH1 C N sing 1.39 N N
21 CZ NH2 C N doub 1.39 N N
22 NH1 HH11 N H sing 1.02 N N
23 NH1 HH12 N H sing 1.02 N N
24 NH2 HH21 N H sing 1.02 N N
25 NH2 HH22 N H sing 1.02 N N
26 OXT HXT O H sing 0.98 N N



ARG : Used in PDB Entries

Total Number of PDB Entries: 237
Ligand Code PDB Entry ID Type Total Distinct
ARG 1aju Open in New Window Bound ligand 1 1
ARG 1akx Open in New Window Bound ligand 1 1
ARG 1arj Open in New Window Bound ligand 1 1
ARG 1b4b Open in New Window Bound ligand 3 1
ARG 1bcr Open in New Window Bound ligand 1 1
ARG 1bcs Open in New Window Bound ligand 1 1
ARG 1bs2 Open in New Window Bound ligand 1 1
ARG 1f7u Open in New Window Bound ligand 1 1
ARG 1fol Open in New Window Bound ligand 2 1
ARG 1foo Open in New Window Bound ligand 2 1
ARG 1fop Open in New Window Bound ligand 2 1
ARG 1hsb Open in New Window Bound ligand 1 1
ARG 1kh3 Open in New Window Bound ligand 4 1
ARG 1koc Open in New Window Bound ligand 1 1
ARG 1kor Open in New Window Bound ligand 4 1
ARG 1laf Open in New Window Bound ligand 1 1
ARG 1m15 Open in New Window Bound ligand 1 1
ARG 1m7v Open in New Window Bound ligand 1 1
ARG 1n2n Open in New Window Bound ligand 2 1
ARG 1nod Open in New Window Bound ligand 2 1
ARG 1nsi Open in New Window Bound ligand 4 1
ARG 1om4 Open in New Window Bound ligand 2 1
ARG 1p50 Open in New Window Bound ligand 1 1
ARG 1pq5 Open in New Window Bound ligand 1 1
ARG 1pq7 Open in New Window Bound ligand 1 1
ARG 1s9r Open in New Window Bound ligand 2 1
ARG 1sd0 Open in New Window Bound ligand 1 1
ARG 1t5g Open in New Window Bound ligand 3 1
ARG 1xxa Open in New Window Bound ligand 6 1
ARG 1xxb Open in New Window Bound ligand 6 1
ARG 1zvl Open in New Window Bound ligand 2 1
ARG 2a9g Open in New Window Bound ligand 4 1
ARG 2an2 Open in New Window Bound ligand 1 1
ARG 2bd2 Open in New Window Bound ligand 1 1
ARG 2bd7 Open in New Window Bound ligand 1 1
ARG 2bd8 Open in New Window Bound ligand 1 1
ARG 2bty Open in New Window Bound ligand 3 1
ARG 2cki Open in New Window Bound ligand 2 1
ARG 2e9f Open in New Window Bound ligand 4 1
ARG 2fc1 Open in New Window Bound ligand 1 1
ARG 2flq Open in New Window Bound ligand 2 1
ARG 2g6h Open in New Window Bound ligand 2 1
ARG 2g6i Open in New Window Bound ligand 2 1
ARG 2g6j Open in New Window Bound ligand 2 1
ARG 2g6k Open in New Window Bound ligand 2 1
ARG 2g6l Open in New Window Bound ligand 2 1
ARG 2g6m Open in New Window Bound ligand 2 1
ARG 2g6n Open in New Window Bound ligand 2 1
ARG 2g6o Open in New Window Bound ligand 2 1
ARG 2kx8 Open in New Window Bound ligand 1 1
ARG 2l8h Open in New Window Bound ligand 1 1
ARG 2nse Open in New Window Bound ligand 2 1
ARG 2p5m Open in New Window Bound ligand 5 1
ARG 2q2a Open in New Window Bound ligand 4 1
ARG 2rd5 Open in New Window Bound ligand 2 1
ARG 2wbo Open in New Window Bound ligand 1 1
ARG 2wbp Open in New Window Bound ligand 1 1
ARG 2wop Open in New Window Bound ligand 1 1
ARG 2y7i Open in New Window Bound ligand 2 1
ARG 2z7c Open in New Window Bound ligand 2 1
ARG 2zfz Open in New Window Bound ligand 6 1
ARG 2zny Open in New Window Bound ligand 6 1
ARG 3a34 Open in New Window Bound ligand 4 1
ARG 3agi Open in New Window Bound ligand 3 1
ARG 3b2p Open in New Window Bound ligand 1 1
ARG 3be7 Open in New Window Bound ligand 8 1
ARG 3c7c Open in New Window Bound ligand 1 1
ARG 3cag Open in New Window Bound ligand 9 1
ARG 3cev Open in New Window Bound ligand 12 1
ARG 3d2p Open in New Window Bound ligand 2 1
ARG 3d68 Open in New Window Bound ligand 3 1
ARG 3dug Open in New Window Bound ligand 8 1
ARG 3ems Open in New Window Bound ligand 4 1
ARG 3fc5 Open in New Window Bound ligand 2 1
ARG 3fhz Open in New Window Bound ligand 9 1
ARG 3ju6 Open in New Window Bound ligand 1 1
ARG 3kum Open in New Window Bound ligand 8 1
ARG 3l1l Open in New Window Bound ligand 1 1
ARG 3laj Open in New Window Bound ligand 6 1
ARG 3lum Open in New Window Bound ligand 4 1
ARG 3lun Open in New Window Bound ligand 1 1
ARG 3mff Open in New Window Bound ligand 1 1
ARG 3n26 Open in New Window Bound ligand 1 1
ARG 3nse Open in New Window Bound ligand 1 1
ARG 3ob6 Open in New Window Bound ligand 2 1
ARG 3qax Open in New Window Bound ligand 2 1
ARG 3rit Open in New Window Bound ligand 5 1
ARG 3tql Open in New Window Bound ligand 1 1
ARG 3u9e Open in New Window Bound ligand 1 1
ARG 3vvf Open in New Window Bound ligand 2 1
ARG 3w5f Open in New Window Bound ligand 1 1
ARG 3zzh Open in New Window Bound ligand 1 1
ARG 4b66 Open in New Window Bound ligand 1 1
ARG 4b68 Open in New Window Bound ligand 1 1
ARG 4ba0 Open in New Window Bound ligand 1 1
ARG 4bg4 Open in New Window Bound ligand 2 1
ARG 4bhl Open in New Window Bound ligand 1 1
ARG 4bkt Open in New Window Bound ligand 1 1
ARG 4bl6 Open in New Window Bound ligand 1 1
ARG 4cul Open in New Window Bound ligand 2 1
ARG 4cum Open in New Window Bound ligand 2 1
ARG 4cun Open in New Window Bound ligand 2 1
ARG 4cvg Open in New Window Bound ligand 2 1
ARG 4d1n Open in New Window Bound ligand 4 1
ARG 4d1o Open in New Window Bound ligand 2 1
ARG 4d49 Open in New Window Bound ligand 2 1
ARG 4d4i Open in New Window Bound ligand 1 1
ARG 4d57 Open in New Window Bound ligand 1 1
ARG 4eof Open in New Window Bound ligand 2 1
ARG 4gjw Open in New Window Bound ligand 1 1
ARG 4h5f Open in New Window Bound ligand 4 1
ARG 4h5g Open in New Window Bound ligand 2 1
ARG 4h7o Open in New Window Bound ligand 3 1
ARG 4hsf Open in New Window Bound ligand 2 1
ARG 4i62 Open in New Window Bound ligand 1 1
ARG 4j3b Open in New Window Bound ligand 1 1
ARG 4jdw Open in New Window Bound ligand 1 1
ARG 4jhx Open in New Window Bound ligand 1 1
ARG 4kx9 Open in New Window Bound ligand 1 1
ARG 4kzt Open in New Window Bound ligand 4 1
ARG 4lt4 Open in New Window Bound ligand 1 1
ARG 4m27 Open in New Window Bound ligand 2 1
ARG 4m2m Open in New Window Bound ligand 1 1
ARG 4nse Open in New Window Bound ligand 2 1
ARG 4oby Open in New Window Bound ligand 1 1
ARG 4psh Open in New Window Bound ligand 2 1
ARG 4q2t Open in New Window Bound ligand 2 1
ARG 4rf7 Open in New Window Bound ligand 6 1
ARG 4rf9 Open in New Window Bound ligand 2 1
ARG 4ugv Open in New Window Bound ligand 1 1
ARG 4usj Open in New Window Bound ligand 2 1
ARG 4wod Open in New Window Bound ligand 1 1
ARG 4xfj Open in New Window Bound ligand 2 1
ARG 4xmv Open in New Window Bound ligand 1 1
ARG 4y4o Open in New Window Bound ligand 2 1
ARG 4ymt Open in New Window Bound ligand 2 1
ARG 4ymu Open in New Window Bound ligand 2 1
ARG 4ymx Open in New Window Bound ligand 2 1
ARG 4ytg Open in New Window Bound ligand 1 1
ARG 4zer Open in New Window Bound ligand 1 1
ARG 4zv1 Open in New Window Bound ligand 1 1
ARG 5ak7 Open in New Window Bound ligand 1 1
ARG 5ak8 Open in New Window Bound ligand 1 1
ARG 5ft0 Open in New Window Bound ligand 2 1
ARG 5gs9 Open in New Window Bound ligand 4 1
ARG 5gt7 Open in New Window Bound ligand 4 1
ARG 5gv2 Open in New Window Bound ligand 1 1
ARG 5gzs Open in New Window Bound ligand 1 1
ARG 5i2c Open in New Window Bound ligand 4 1
ARG 5j99 Open in New Window Bound ligand 1 1
ARG 5j9a Open in New Window Bound ligand 1 1
ARG 5jwg Open in New Window Bound ligand 2 1
ARG 5jwi Open in New Window Bound ligand 2 1
ARG 5jxf Open in New Window Bound ligand 2 1
ARG 5krv Open in New Window Bound ligand 1 1
ARG 5kvj Open in New Window Bound ligand 1 1
ARG 5lt9 Open in New Window Bound ligand 2 1
ARG 5lun Open in New Window Bound ligand 4 1
ARG 5mt3 Open in New Window Bound ligand 4 1
ARG 5mt9 Open in New Window Bound ligand 4 1
ARG 5oal Open in New Window Bound ligand 1 1
ARG 5t0w Open in New Window Bound ligand 4 1
ARG 5u92 Open in New Window Bound ligand 1 1
ARG 5v2y Open in New Window Bound ligand 1 1
ARG 5v2z Open in New Window Bound ligand 1 1
ARG 5v31 Open in New Window Bound ligand 1 1
ARG 5v34 Open in New Window Bound ligand 1 1
ARG 5v8i Open in New Window Bound ligand 2 1
ARG 5x2o Open in New Window Bound ligand 4 1
ARG 5xhp Open in New Window Bound ligand 2 1
ARG 5xyk Open in New Window Bound ligand 1 1
ARG 5y3z Open in New Window Bound ligand 3 1
ARG 5yb8 Open in New Window Bound ligand 8 1
ARG 5yo2 Open in New Window Bound ligand 2 1
ARG 5yym Open in New Window Bound ligand 2 1
ARG 6aal Open in New Window Bound ligand 1 1
ARG 6alm Open in New Window Bound ligand 1 1
ARG 6alo Open in New Window Bound ligand 1 1
ARG 6alq Open in New Window Bound ligand 1 1
ARG 6alr Open in New Window Bound ligand 1 1
ARG 6ao8 Open in New Window Bound ligand 1 1
ARG 6b0j Open in New Window Bound ligand 2 1
ARG 6b0k Open in New Window Bound ligand 1 1
ARG 6bv0 Open in New Window Bound ligand 1 1
ARG 6c08 Open in New Window Bound ligand 1 1
ARG 6cfk Open in New Window Bound ligand 2 1
ARG 6cfl Open in New Window Bound ligand 2 1
ARG 6czr Open in New Window Bound ligand 2 1
ARG 6daw Open in New Window Bound ligand 2 1
ARG 6det Open in New Window Bound ligand 1 1
ARG 6f34 Open in New Window Bound ligand 1 1
ARG 6ft2 Open in New Window Bound ligand 1 1
ARG 6ggv Open in New Window Bound ligand 2 1
ARG 6gpc Open in New Window Bound ligand 2 1
ARG 6gyp Open in New Window Bound ligand 1 1
ARG 6ien Open in New Window Bound ligand 1 1
ARG 6iot Open in New Window Bound ligand 4 1
ARG 6iov Open in New Window Bound ligand 2 1
ARG 6juz Open in New Window Bound ligand 1 1
ARG 6jv1 Open in New Window Bound ligand 1 1
ARG 6k2m Open in New Window Bound ligand 2 1
ARG 6kfr Open in New Window Bound ligand 2 1
ARG 6kp0 Open in New Window Bound ligand 2 1
ARG 6ky3 Open in New Window Bound ligand 1 1
ARG 6li9 Open in New Window Bound ligand 2 1
ARG 6lrh Open in New Window Bound ligand 2 1
ARG 6mj7 Open in New Window Bound ligand 1 1
ARG 6mku Open in New Window Bound ligand 1 1
ARG 6ml9 Open in New Window Bound ligand 1 1
ARG 6mla Open in New Window Bound ligand 1 1
ARG 6mle Open in New Window Bound ligand 1 1
ARG 6mlg Open in New Window Bound ligand 1 1
ARG 6mlj Open in New Window Bound ligand 2 1
ARG 6mln Open in New Window Bound ligand 1 1
ARG 6mlo Open in New Window Bound ligand 1 1
ARG 6oi0 Open in New Window Bound ligand 1 1
ARG 6q3u Open in New Window Bound ligand 1 1
ARG 6svf Open in New Window Bound ligand 1 1
ARG 6vp4 Open in New Window Bound ligand 4 1
ARG 6vp5 Open in New Window Bound ligand 4 1
ARG 6vqy Open in New Window Bound ligand 3 1
ARG 6vqz Open in New Window Bound ligand 2 1
ARG 6wjp Open in New Window Bound ligand 2 1
ARG 6xhx Open in New Window Bound ligand 2 1
ARG 6xtv Open in New Window Bound ligand 1 1
ARG 6y0n Open in New Window Bound ligand 1 1
ARG 6yd7 Open in New Window Bound ligand 1 1
ARG 6ywz Open in New Window Bound ligand 2 1
ARG 6yx1 Open in New Window Bound ligand 2 1
ARG 7a99 Open in New Window Bound ligand 2 1
ARG 7cfu Open in New Window Bound ligand 1 1
ARG 7e0d Open in New Window Bound ligand 1 1
ARG 7eij Open in New Window Bound ligand 1 1
ARG 7k5z Open in New Window Bound ligand 4 1
ARG 7md7 Open in New Window Bound ligand 2 1
ARG 7mgu Open in New Window Bound ligand 1 1
ARG 7nlo Open in New Window Bound ligand 1 1
ARG 1a8k Open in New Window Sub-component 2 1
ARG 1a94 Open in New Window Sub-component 2 1
ARG 1bai Open in New Window Sub-component 1 1
ARG 1daz Open in New Window Sub-component 1 1
ARG 1dw6 Open in New Window Sub-component 1 1
ARG 1ebk Open in New Window Sub-component 2 1
ARG 1fff Open in New Window Sub-component 1 1
ARG 1fg8 Open in New Window Sub-component 1 1
ARG 1k1t Open in New Window Sub-component 1 1
ARG 1k1u Open in New Window Sub-component 1 1
ARG 1k2b Open in New Window Sub-component 1 1
ARG 1k2c Open in New Window Sub-component 1 1
ARG 2aoe Open in New Window Sub-component 1 1
ARG 5kqz Open in New Window Sub-component 1 1
ARG 6o48 Open in New Window Sub-component 1 1
ARG 6o5x Open in New Window Sub-component 2 1
ARG 1o6i Open in New Window Sub-component 2 1
ARG 5yvk Open in New Window Sub-component 1 1
ARG 5z53 Open in New Window Sub-component 4 1
ARG 5z54 Open in New Window Sub-component 4 1
ARG 6j03 Open in New Window Sub-component 1 1
ARG 4qbb Open in New Window Sub-component 3 1
ARG 3dck Open in New Window Sub-component 1 1
ARG 4hfp Open in New Window Sub-component 2 1
ARG 4rn6 Open in New Window Sub-component 2 1
ARG 1dwc Open in New Window Sub-component 1 1
ARG 1etr Open in New Window Sub-component 1 1
ARG 1fpc Open in New Window Sub-component 1 1
ARG 1w7g Open in New Window Sub-component 1 1
ARG 1a4w Open in New Window Sub-component 1 1
ARG 3dcr Open in New Window Sub-component 1 1
ARG 3nwx Open in New Window Sub-component 1 1
ARG 3nxn Open in New Window Sub-component 1 1
ARG 6kmp Open in New Window Sub-component 1 1
ARG 6ptp Open in New Window Sub-component 1 1
ARG 1the Open in New Window Sub-component 2 1
ARG 5wxt Open in New Window Sub-component 1 1