Chemical Components in the PDB

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ASP : Summary

Code

ASP

One-letter code

D

Molecule name

ASPARTIC ACID

Systematic names

ProgramVersionName
ACDLabs 12.01 L-aspartic acid
OpenEye OEToolkits 1.7.0 (2S)-2-azanylbutanedioic acid

Formula

C4 H7 N O4

Formal charge

0

Molecular weight

133.103 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)CC(N)C(=O)O
SMILES CACTVS 3.370 N[CH](CC(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 C(C(C(=O)O)N)C(=O)O
Canonical SMILES CACTVS 3.370 N[C@@H](CC(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C([C@@H](C(=O)O)N)C(=O)O

IUPAC InChI

InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1

IUPAC InChI key

CKLJMWTZIZZHCS-REOHCLBHSA-N
ASP

wwPDB Information

Atom count

16 (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



ASP : Atoms of Molecule

Total Number of Atoms: 16
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 -0.317 1.688 0.066
2 CA C CA S N N 0 -0.47 0.286 -0.344
3 C C C N N N 0 -1.868 -0.18 -0.029
4 O O O N N N 0 -2.534 0.415 0.786
5 CB C CB N N N 0 0.539 -0.58 0.413
6 CG C CG N N N 0 1.938 -0.195 0.0040
7 OD1 O OD1 N N N 0 2.109 0.681 -0.81
8 OD2 O OD2 N N N 0 2.992 -0.826 0.543
9 OXT O OXT N N Y 0 -2.374 -1.256 -0.652
10 H H H N N N 0 -0.928 2.289 -0.467
11 H2 H HN2 N N Y 0 -0.478 1.795 1.056
12 HA H HA N N N 0 -0.292 0.199 -1.416
13 HB2 H HB1 N N N 0 0.419 -0.425 1.485
14 HB3 H HB2 N N N 0 0.367 -1.63 0.176
15 HD2 H HD2 N N N 0 3.869 -0.545 0.25
16 HXT H HXT N N Y 0 -3.275 -1.517 -0.416



ASP : Chemical Bonds

Total Number of Bonds: 15
Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 N CA N C sing 1.47 N N
2 N H N H sing 1.01 N N
3 N H2 N H sing 1.01 N N
4 CA C C C sing 1.51 N N
5 CA CB C C sing 1.53 N N
6 CA HA C H sing 1.09 N N
7 C O C O doub 1.21 N N
8 C OXT C O sing 1.34 N N
9 CB CG C C sing 1.51 N N
10 CB HB2 C H sing 1.09 N N
11 CB HB3 C H sing 1.09 N N
12 CG OD1 C O doub 1.21 N N
13 CG OD2 C O sing 1.34 N N
14 OD2 HD2 O H sing 0.97 N N
15 OXT HXT O H sing 0.97 N N



ASP : Used in PDB Entries

Total Number of PDB Entries: 155
Ligand Code PDB Entry ID Type Total Distinct
ASP 1apz Open in New Window Bound ligand 2 1
ASP 1fiy Open in New Window Bound ligand 1 1
ASP 1gc4 Open in New Window Bound ligand 4 1
ASP 1gck Open in New Window Bound ligand 2 1
ASP 1ho3 Open in New Window Bound ligand 2 1
ASP 1j1z Open in New Window Bound ligand 4 1
ASP 1jqn Open in New Window Bound ligand 1 1
ASP 1k97 Open in New Window Bound ligand 1 1
ASP 1kh3 Open in New Window Bound ligand 4 1
ASP 1kkk Open in New Window Bound ligand 1 1
ASP 1nns Open in New Window Bound ligand 2 1
ASP 1onx Open in New Window Bound ligand 2 1
ASP 1qb4 Open in New Window Bound ligand 1 1
ASP 1rzg Open in New Window Bound ligand 1 1
ASP 1vlt Open in New Window Bound ligand 2 1
ASP 1wat Open in New Window Bound ligand 1 1
ASP 1y79 Open in New Window Bound ligand 1 1
ASP 1zq1 Open in New Window Bound ligand 2 1
ASP 2bb4 Open in New Window Bound ligand 1 1
ASP 2cnu Open in New Window Bound ligand 3 1
ASP 2cnv Open in New Window Bound ligand 2 1
ASP 2f5x Open in New Window Bound ligand 3 1
ASP 2gvn Open in New Window Bound ligand 8 1
ASP 2him Open in New Window Bound ligand 4 1
ASP 2hmf Open in New Window Bound ligand 4 1
ASP 2hse Open in New Window Bound ligand 3 1
ASP 2j0w Open in New Window Bound ligand 1 1
ASP 2j0x Open in New Window Bound ligand 1 1
ASP 2jk0 Open in New Window Bound ligand 8 1
ASP 2lig Open in New Window Bound ligand 1 1
ASP 2nwl Open in New Window Bound ligand 3 1
ASP 2nwx Open in New Window Bound ligand 3 1
ASP 2nz2 Open in New Window Bound ligand 1 1
ASP 2p2n Open in New Window Bound ligand 4 1
ASP 2pcu Open in New Window Bound ligand 1 1
ASP 2v25 Open in New Window Bound ligand 2 1
ASP 2wlt Open in New Window Bound ligand 1 1
ASP 2wt4 Open in New Window Bound ligand 1 1
ASP 2zal Open in New Window Bound ligand 5 1
ASP 3c1m Open in New Window Bound ligand 4 1
ASP 3c20 Open in New Window Bound ligand 2 1
ASP 3eca Open in New Window Bound ligand 4 1
ASP 3h0r Open in New Window Bound ligand 2 1
ASP 3kbc Open in New Window Bound ligand 3 1
ASP 3nel Open in New Window Bound ligand 1 1
ASP 3oek Open in New Window Bound ligand 1 1
ASP 3p8v Open in New Window Bound ligand 2 1
ASP 3r6v Open in New Window Bound ligand 2 1
ASP 3reu Open in New Window Bound ligand 1 1
ASP 3tvi Open in New Window Bound ligand 7 1
ASP 3v8f Open in New Window Bound ligand 3 1
ASP 3v8g Open in New Window Bound ligand 6 1
ASP 3wvn Open in New Window Bound ligand 2 1
ASP 3zgb Open in New Window Bound ligand 2 1
ASP 3zge Open in New Window Bound ligand 2 1
ASP 4fe2 Open in New Window Bound ligand 1 1
ASP 4io3 Open in New Window Bound ligand 2 1
ASP 4izm Open in New Window Bound ligand 3 1
ASP 4kxa Open in New Window Bound ligand 1 1
ASP 4mcs Open in New Window Bound ligand 1 1
ASP 4nje Open in New Window Bound ligand 1 1
ASP 4o2d Open in New Window Bound ligand 2 1
ASP 4o3a Open in New Window Bound ligand 3 1
ASP 4o3c Open in New Window Bound ligand 1 1
ASP 4o48 Open in New Window Bound ligand 2 1
ASP 4o7t Open in New Window Bound ligand 1 1
ASP 4pu6 Open in New Window Bound ligand 1 1
ASP 4pvr Open in New Window Bound ligand 2 1
ASP 4pvs Open in New Window Bound ligand 2 1
ASP 4r8l Open in New Window Bound ligand 4 1
ASP 4rxm Open in New Window Bound ligand 1 1
ASP 4uc9 Open in New Window Bound ligand 4 1
ASP 4ufa Open in New Window Bound ligand 2 1
ASP 4wj4 Open in New Window Bound ligand 1 1
ASP 4x2s Open in New Window Bound ligand 3 1
ASP 4xmw Open in New Window Bound ligand 1 1
ASP 4ytb Open in New Window Bound ligand 1 1
ASP 4z9h Open in New Window Bound ligand 1 1
ASP 4z9i Open in New Window Bound ligand 1 1
ASP 5ama Open in New Window Bound ligand 4 1
ASP 5b5u Open in New Window Bound ligand 1 1
ASP 5cfy Open in New Window Bound ligand 6 1
ASP 5e9s Open in New Window Bound ligand 3 1
ASP 5f52 Open in New Window Bound ligand 4 1
ASP 5fdn Open in New Window Bound ligand 2 1
ASP 5hrc Open in New Window Bound ligand 2 1
ASP 5i3z Open in New Window Bound ligand 4 1
ASP 5i48 Open in New Window Bound ligand 4 1
ASP 5i4b Open in New Window Bound ligand 3 1
ASP 5jwg Open in New Window Bound ligand 2 1
ASP 5jxf Open in New Window Bound ligand 2 1
ASP 5k3o Open in New Window Bound ligand 4 1
ASP 5k4g Open in New Window Bound ligand 4 1
ASP 5kxj Open in New Window Bound ligand 1 1
ASP 5llm Open in New Window Bound ligand 1 1
ASP 5llu Open in New Window Bound ligand 1 1
ASP 5lm4 Open in New Window Bound ligand 1 1
ASP 5mq5 Open in New Window Bound ligand 4 1
ASP 5nct Open in New Window Bound ligand 1 1
ASP 5oxm Open in New Window Bound ligand 1 1
ASP 5w25 Open in New Window Bound ligand 2 1
ASP 5wxy Open in New Window Bound ligand 1 1
ASP 5zie Open in New Window Bound ligand 2 1
ASP 6a4r Open in New Window Bound ligand 2 1
ASP 6b5z Open in New Window Bound ligand 6 1
ASP 6b61 Open in New Window Bound ligand 10 1
ASP 6b64 Open in New Window Bound ligand 8 1
ASP 6bat Open in New Window Bound ligand 3 1
ASP 6bv1 Open in New Window Bound ligand 1 1
ASP 6ctf Open in New Window Bound ligand 3 1
ASP 6h1u Open in New Window Bound ligand 1 1
ASP 6jks Open in New Window Bound ligand 6 1
ASP 6jl4 Open in New Window Bound ligand 5 1
ASP 6jl5 Open in New Window Bound ligand 6 1
ASP 6jl6 Open in New Window Bound ligand 1 1
ASP 6pa2 Open in New Window Bound ligand 4 1
ASP 6pa4 Open in New Window Bound ligand 4 1
ASP 6paa Open in New Window Bound ligand 4 1
ASP 6pab Open in New Window Bound ligand 5 1
ASP 6pac Open in New Window Bound ligand 4 1
ASP 6pae Open in New Window Bound ligand 4 1
ASP 6pq8 Open in New Window Bound ligand 1 1
ASP 6pq9 Open in New Window Bound ligand 1 1
ASP 6qf3 Open in New Window Bound ligand 2 1
ASP 6r1c Open in New Window Bound ligand 1 1
ASP 6rue Open in New Window Bound ligand 4 1
ASP 6tnh Open in New Window Bound ligand 1 1
ASP 6uog Open in New Window Bound ligand 8 1
ASP 6uoh Open in New Window Bound ligand 2 1
ASP 6uwf Open in New Window Bound ligand 1 1
ASP 6uwl Open in New Window Bound ligand 1 1
ASP 6v24 Open in New Window Bound ligand 2 1
ASP 6v25 Open in New Window Bound ligand 2 1
ASP 6v26 Open in New Window Bound ligand 4 1
ASP 6v29 Open in New Window Bound ligand 4 1
ASP 6v5f Open in New Window Bound ligand 2 1
ASP 6v75 Open in New Window Bound ligand 2 1
ASP 6v8g Open in New Window Bound ligand 3 1
ASP 6wyj Open in New Window Bound ligand 1 1
ASP 6wyk Open in New Window Bound ligand 1 1
ASP 6wyl Open in New Window Bound ligand 3 1
ASP 6wyw Open in New Window Bound ligand 4 1
ASP 6wyx Open in New Window Bound ligand 4 1
ASP 6wz4 Open in New Window Bound ligand 4 1
ASP 6wzb Open in New Window Bound ligand 3 1
ASP 6x01 Open in New Window Bound ligand 3 1
ASP 6x15 Open in New Window Bound ligand 3 1
ASP 6x2z Open in New Window Bound ligand 1 1
ASP 6x3e Open in New Window Bound ligand 1 1
ASP 6xwo Open in New Window Bound ligand 1 1
ASP 6xwp Open in New Window Bound ligand 2 1
ASP 6xwq Open in New Window Bound ligand 3 1
ASP 6zxg Open in New Window Bound ligand 1 1
ASP 6zxh Open in New Window Bound ligand 1 1
ASP 7bu3 Open in New Window Bound ligand 1 1