Chemical Components in the PDB

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LEU : Summary

Code

LEU

One-letter code

L

Molecule name

LEUCINE

Systematic names

ProgramVersionName
ACDLabs 10.04 L-leucine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-4-methyl-pentanoic acid

Formula

C6 H13 N O2

Formal charge

0

Molecular weight

131.173 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CC(C)C
SMILES CACTVS 3.341 CC(C)C[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(C)CC(C(=O)O)N
Canonical SMILES CACTVS 3.341 CC(C)C[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(C)C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1

IUPAC InChI key

ROHFNLRQFUQHCH-YFKPBYRVSA-N

Is part of

RA4 , RA8 , RSY , UB2 , UBT , UBV , UBW , UBY , UBZ , X32 , XLI , ZIL , ZU3 , ZU5 , 038 , 0D6 , 0DS , 0ED , 0EO , 0F7 , 0GM , 0GR , 0I5 , 0PI , 0PJ , 0PJ , 0PK , 0QH , 0Z2 , 0Z4 , 0Z9 , 0ZL , 0ZN , 1G1 , 1G1 , 1G6 , 1U4 , 2G6 , 2G7 , 2G8 , 2G9 , 2GC , 2GZ , 2H0 , 2L0 , 2L0 , 2LR , 2LR , 2LV , 2LV , 2M1 , 2M1 , 2MK , 2MK , 2YS , 2ZF , 3E5 , 3E5 , ALD , ALD , AZ0 , AZ0 , BL2 , CIX , CIX , EP2 , EP2 , EP9 , EP9 , K36 , LDZ , LDZ , RDF , UB3 , UBS , 55A
LEU

wwPDB Information

Atom count

22 (9 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



LEU : Atoms of Molecule

Total Number of Atoms: 22
Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N N N N N N 0 -1.661 0.627 -0.406
2 CA C CA S N N 0 -0.205 0.441 -0.467
3 C C C N N N 0 0.18 -0.055 -1.836
4 O O O N N N 0 -0.591 -0.731 -2.474
5 CB C CB N N N 0 0.221 -0.583 0.585
6 CG C CG N N N 0 -0.17 -0.079 1.976
7 CD1 C CD1 N N N 0 0.256 -1.104 3.029
8 CD2 C CD2 N N N 0 0.526 1.254 2.25
9 OXT O OXT N N Y 0 1.382 0.254 -2.348
10 H H H N N N 0 -2.077 -0.272 -0.592
11 H2 H HN2 N N Y 0 -1.884 0.858 0.55
12 HA H HA N N N 0 0.291 1.391 -0.271
13 HB2 H 1HB N N N 0 1.301 -0.722 0.54
14 HB3 H 2HB N N N 0 -0.275 -1.534 0.39
15 HG H HG N N N 0 -1.25 0.058 2.021
16 HD11 H 1HD1 N N N 0 -0.022 -0.745 4.019
17 HD12 H 2HD1 N N N 0 -0.24 -2.055 2.833
18 HD13 H 3HD1 N N N 0 1.336 -1.243 2.984
19 HD21 H 1HD2 N N N 0 1.606 1.115 2.205
20 HD22 H 2HD2 N N N 0 0.222 1.984 1.5
21 HD23 H 3HD2 N N N 0 0.247 1.613 3.241
22 HXT H HXT N N Y 0 1.63 -0.064 -3.226



LEU : Chemical Bonds

Total Number of Bonds: 21
Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 N CA N C sing 1.4690994 N N
2 N H N H sing 1.0078954 N N
3 N H2 N H sing 1.0084771 N N
4 CA C C C sing 1.5061215 N N
5 CA CB C C sing 1.5286452 N N
6 CA HA C H sing 1.0894641 N N
7 C O C O doub 1.2076676 N N
8 C OXT C O sing 1.3425457 N N
9 CB CG C C sing 1.5302869 N N
10 CB HB2 C H sing 1.0898376 N N
11 CB HB3 C H sing 1.0901569 N N
12 CG CD1 C C sing 1.5300033 N N
13 CG CD2 C C sing 1.5285225 N N
14 CG HG C H sing 1.0895844 N N
15 CD1 HD11 C H sing 1.0891579 N N
16 CD1 HD12 C H sing 1.0903362 N N
17 CD1 HD13 C H sing 1.0898376 N N
18 CD2 HD21 C H sing 1.0898376 N N
19 CD2 HD22 C H sing 1.0898697 N N
20 CD2 HD23 C H sing 1.0903224 N N
21 OXT HXT O H sing 0.96618426 N N



LEU : Used in PDB Entries

Total Number of PDB Entries: 71
Ligand Code PDB Entry ID Type Total Distinct
LEU 1a16 Open in New Window Bound ligand 1 1
LEU 1abw Open in New Window Bound ligand 2 1
LEU 1dgi Open in New Window Bound ligand 2 2
LEU 1dpp Open in New Window Bound ligand 4 1
LEU 1f2o Open in New Window Bound ligand 1 1
LEU 1h3n Open in New Window Bound ligand 1 1
LEU 1lan Open in New Window Bound ligand 1 1
LEU 1obc Open in New Window Bound ligand 1 1
LEU 1pe5 Open in New Window Bound ligand 1 1
LEU 1pe7 Open in New Window Bound ligand 1 1
LEU 1pe8 Open in New Window Bound ligand 1 1
LEU 1t2w Open in New Window Bound ligand 1 1
LEU 1tdn Open in New Window Bound ligand 1 1
LEU 1usk Open in New Window Bound ligand 4 1
LEU 1xqw Open in New Window Bound ligand 2 1
LEU 1xro Open in New Window Bound ligand 1 1
LEU 1xrq Open in New Window Bound ligand 1 1
LEU 1y3g Open in New Window Bound ligand 1 1
LEU 1z16 Open in New Window Bound ligand 1 1
LEU 2a65 Open in New Window Bound ligand 1 1
LEU 2bh3 Open in New Window Bound ligand 1 1
LEU 2bn7 Open in New Window Bound ligand 1 1
LEU 2bte Open in New Window Bound ligand 2 1
LEU 2byt Open in New Window Bound ligand 2 1
LEU 2p6t Open in New Window Bound ligand 8 1
LEU 2q6h Open in New Window Bound ligand 1 1
LEU 2q72 Open in New Window Bound ligand 1 1
LEU 2qaa Open in New Window Bound ligand 2 1
LEU 2qb4 Open in New Window Bound ligand 1 1
LEU 2qju Open in New Window Bound ligand 1 1
LEU 2v0c Open in New Window Bound ligand 1 1
LEU 2v0g Open in New Window Bound ligand 2 1
LEU 2vc0 Open in New Window Bound ligand 1 1
LEU 2vsq Open in New Window Bound ligand 1 1
LEU 2wi0 Open in New Window Bound ligand 1 1
LEU 2z1y Open in New Window Bound ligand 2 1
LEU 2z3p Open in New Window Bound ligand 2 1
LEU 2zp7 Open in New Window Bound ligand 3 1
LEU 3aoe Open in New Window Bound ligand 6 1
LEU 3b3s Open in New Window Bound ligand 1 1
LEU 3b3w Open in New Window Bound ligand 1 1
LEU 3b7i Open in New Window Bound ligand 1 1
LEU 3deq Open in New Window Bound ligand 4 1
LEU 3f3e Open in New Window Bound ligand 1 1
LEU 3fig Open in New Window Bound ligand 2 1
LEU 3gjc Open in New Window Bound ligand 2 1
LEU 3gjd Open in New Window Bound ligand 1 1
LEU 3gwu Open in New Window Bound ligand 1 1
LEU 3gwv Open in New Window Bound ligand 1 1
LEU 3gww Open in New Window Bound ligand 1 1
LEU 3hps Open in New Window Bound ligand 2 1
LEU 3ipc Open in New Window Bound ligand 1 1
LEU 3jzu Open in New Window Bound ligand 8 1
LEU 3lop Open in New Window Bound ligand 1 1
LEU 3mpn Open in New Window Bound ligand 1 1
LEU 3mpq Open in New Window Bound ligand 1 1
LEU 3ufg Open in New Window Bound ligand 1 1
LEU 3usg Open in New Window Bound ligand 1 1
LEU 3usi Open in New Window Bound ligand 2 1
LEU 3usj Open in New Window Bound ligand 2 1
LEU 3usk Open in New Window Bound ligand 4 1
LEU 3usp Open in New Window Bound ligand 1 1
LEU 4aq7 Open in New Window Bound ligand 2 1
LEU 4arc Open in New Window Bound ligand 1 1
LEU 4fxz Open in New Window Bound ligand 1 1
LEU 4hmk Open in New Window Bound ligand 2 1
LEU 4hod Open in New Window Bound ligand 1 1
LEU 4k3l Open in New Window Bound ligand 2 1
LEU 4n0q Open in New Window Bound ligand 4 1
LEU 4og2 Open in New Window Bound ligand 2 1
LEU 4q6b Open in New Window Bound ligand 1 1
LEU 1ypm Open in New Window Sub-component 1 1
LEU 1ypl Open in New Window Sub-component 1 1
LEU 3r0w Open in New Window Sub-component 1 1
LEU 3fvp Open in New Window Sub-component 1 1
LEU 3t8g Open in New Window Sub-component 1 1
LEU 3t8d Open in New Window Sub-component 1 1
LEU 3t8c Open in New Window Sub-component 1 1
LEU 3t74 Open in New Window Sub-component 1 1
LEU 3t87 Open in New Window Sub-component 1 1
LEU 4d9w Open in New Window Sub-component 1 1
LEU 3k5d Open in New Window Sub-component 3 1
LEU 4u0g Open in New Window Sub-component 28 1
LEU 2zu3 Open in New Window Sub-component 1 1
LEU 2zu4 Open in New Window Sub-component 1 1
LEU 2zu5 Open in New Window Sub-component 1 1
LEU 3kyr Open in New Window Sub-component 3 1
LEU 1mem Open in New Window Sub-component 1 1
LEU 1ums Open in New Window Sub-component 1 1
LEU 1umt Open in New Window Sub-component 1 1
LEU 1cgl Open in New Window Sub-component 2 1
LEU 1eed Open in New Window Sub-component 1 1
LEU 1dy8 Open in New Window Sub-component 2 1
LEU 1fq5 Open in New Window Sub-component 1 1
LEU 1gvv Open in New Window Sub-component 1 1
LEU 2aig Open in New Window Sub-component 1 1
LEU 1ewp Open in New Window Sub-component 1 1
LEU 6tmn Open in New Window Sub-component 1 1
LEU 4h57 Open in New Window Sub-component 1 1
LEU 5tmn Open in New Window Sub-component 1 1
LEU 4h57 Open in New Window Sub-component 1 1
LEU 5tmn Open in New Window Sub-component 1 1
LEU 4tmn Open in New Window Sub-component 1 1
LEU 1bma Open in New Window Sub-component 1 1
LEU 7est Open in New Window Sub-component 1 1
LEU 1elb Open in New Window Sub-component 1 1
LEU 1af0 Open in New Window Sub-component 1 1
LEU 1psa Open in New Window Sub-component 2 1
LEU 1tmn Open in New Window Sub-component 1 1
LEU 4inr Open in New Window Sub-component 4 1
LEU 4inr Open in New Window Sub-component 4 1
LEU 4inu Open in New Window Sub-component 4 1
LEU 3fv4 Open in New Window Sub-component 1 1
LEU 4n4e Open in New Window Sub-component 1 1
LEU 4oi5 Open in New Window Sub-component 1 1
LEU 4mtw Open in New Window Sub-component 1 1
LEU 4mxj Open in New Window Sub-component 1 1
LEU 4mzn Open in New Window Sub-component 1 1
LEU 4mwp Open in New Window Sub-component 1 1
LEU 4n66 Open in New Window Sub-component 1 1
LEU 4n5p Open in New Window Sub-component 1 1
LEU 4no9 Open in New Window Sub-component 3 1
LEU 4no9 Open in New Window Sub-component 3 1
LEU 4no9 Open in New Window Sub-component 1 1
LEU 4no9 Open in New Window Sub-component 1 1
LEU 4no8 Open in New Window Sub-component 2 1
LEU 4no8 Open in New Window Sub-component 2 1
LEU 4no6 Open in New Window Sub-component 2 1
LEU 4no6 Open in New Window Sub-component 2 1
LEU 4nnw Open in New Window Sub-component 6 1
LEU 4nnw Open in New Window Sub-component 6 1
LEU 4q80 Open in New Window Sub-component 2 1
LEU 1dxw Open in New Window Sub-component 1 1
LEU 1dy9 Open in New Window Sub-component 2 1
LEU 4r02 Open in New Window Sub-component 2 1
LEU 4r02 Open in New Window Sub-component 2 1
LEU 1bp4 Open in New Window Sub-component 1 1
LEU 4nnn Open in New Window Sub-component 6 1
LEU 1bp4 Open in New Window Sub-component 1 1
LEU 4nnn Open in New Window Sub-component 6 1
LEU 3gcd Open in New Window Sub-component 4 1
LEU 3gcd Open in New Window Sub-component 4 1
LEU 4f8z Open in New Window Sub-component 1 1
LEU 4ik2 Open in New Window Sub-component 1 1
LEU 4fwh Open in New Window Sub-component 1 1
LEU 4no1 Open in New Window Sub-component 2 1
LEU 4fwh Open in New Window Sub-component 1 1
LEU 4no1 Open in New Window Sub-component 2 1
LEU 1sp4 Open in New Window Sub-component 1 1
LEU 1sp4 Open in New Window Sub-component 1 1
LEU 3okj Open in New Window Sub-component 2 1
LEU 3okj Open in New Window Sub-component 2 1
LEU 3ur9 Open in New Window Sub-component 2 1
LEU 4dcd Open in New Window Sub-component 1 1
LEU 4f49 Open in New Window Sub-component 4 1
LEU 4g4s Open in New Window Sub-component 1 1
LEU 4g4s Open in New Window Sub-component 1 1
LEU 1dmt Open in New Window Sub-component 1 1
LEU 1tlp Open in New Window Sub-component 1 1
LEU 3dbk Open in New Window Sub-component 1 1
LEU 3dwb Open in New Window Sub-component 1 1
LEU 3zuk Open in New Window Sub-component 2 1
LEU 4b52 Open in New Window Sub-component 2 1
LEU 4cth Open in New Window Sub-component 1 1
LEU 3flf Open in New Window Sub-component 1 1
LEU 3t8h Open in New Window Sub-component 1 1
LEU 3sa7 Open in New Window Sub-component 1 1