Chemical Components in the PDB

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CYS : Summary

Code

CYS

One-letter code

C

Molecule name

CYSTEINE

Systematic names

ProgramVersionName
ACDLabs 10.04 L-cysteine
OpenEye OEToolkits 1.5.0 (2R)-2-amino-3-sulfanyl-propanoic acid

Formula

C3 H7 N O2 S

Formal charge

0

Molecular weight

121.158 Da

SMILES

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

IUPAC InChI

InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1

IUPAC InChI key

XUJNEKJLAYXESH-REOHCLBHSA-N

Is part of

SC2
CYS

wwPDB Information

Atom count

14 (7 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



CYS : Atoms of Molecule

Total Number of Atoms: 14
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 -0.095 0.0060 1.606
2 CA C CA R N N 0 0.141 0.45 0.186
3 CB C CB N N N 0 -0.533 -0.53 -0.774
4 H H H N N N 0 1.928 -0.454 0.063
5 H2 H HN2 N N Y 0 1.693 0.682 -1.065
6 HA H HA N N N 0 -0.277 1.446 0.042
7 HB2 H 1HB N N N 0 -0.114 -1.526 -0.63
8 HB3 H 2HB N N N 0 -1.604 -0.554 -0.575
9 HG H HG N N N 0 -0.904 -0.965 -3.145
10 HXT H HXT N N Y 0 -1.326 0.158 3.186
11 N N N N N N 0 1.585 0.483 -0.081
12 O O O N N N 0 0.685 -0.742 2.143
13 OXT O OXT N N Y 0 -1.174 0.443 2.275
14 SG S SG N N N 0 -0.247 0.0040 -2.484



CYS : Chemical Bonds

Total Number of Bonds: 13
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 SG C S sing 1.81 N N
10 CB HB2 C H sing 1.09 N N
11 CB HB3 C H sing 1.09 N N
12 SG HG S H sing 1.34 N N
13 OXT HXT O H sing 0.97 N N



CYS : Used in PDB Entries

Total Number of PDB Entries: 129
Ligand Code PDB Entry ID Type Total Distinct
CYS 1b23 Open in New Window Bound ligand 1 1
CYS 1d7p Open in New Window Bound ligand 1 1
CYS 1ecx Open in New Window Bound ligand 2 1
CYS 1gkm Open in New Window Bound ligand 1 1
CYS 1gl3 Open in New Window Bound ligand 1 1
CYS 1hfe Open in New Window Bound ligand 2 1
CYS 1i1a Open in New Window Bound ligand 2 1
CYS 1li7 Open in New Window Bound ligand 2 1
CYS 1mb4 Open in New Window Bound ligand 2 1
CYS 1n26 Open in New Window Bound ligand 1 1
CYS 1n31 Open in New Window Bound ligand 4 1
CYS 1o7s Open in New Window Bound ligand 1 1
CYS 1pqu Open in New Window Bound ligand 4 1
CYS 1r4s Open in New Window Bound ligand 1 1
CYS 1r51 Open in New Window Bound ligand 1 1
CYS 1rzg Open in New Window Bound ligand 1 1
CYS 1ssq Open in New Window Bound ligand 2 1
CYS 1t3d Open in New Window Bound ligand 3 1
CYS 1v1q Open in New Window Bound ligand 3 1
CYS 1xt8 Open in New Window Bound ligand 2 1
CYS 208l Open in New Window Bound ligand 1 1
CYS 2d32 Open in New Window Bound ligand 4 1
CYS 2d33 Open in New Window Bound ligand 4 1
CYS 2df3 Open in New Window Bound ligand 1 1
CYS 2fub Open in New Window Bound ligand 1 1
CYS 2g5r Open in New Window Bound ligand 1 1
CYS 2ibn Open in New Window Bound ligand 2 1
CYS 2ic1 Open in New Window Bound ligand 2 1
CYS 2icq Open in New Window Bound ligand 1 1
CYS 2io8 Open in New Window Bound ligand 2 1
CYS 2ix7 Open in New Window Bound ligand 1 1
CYS 2pad Open in New Window Bound ligand 1 1
CYS 2v43 Open in New Window Bound ligand 4 1
CYS 2wb9 Open in New Window Bound ligand 1 1
CYS 2yjp Open in New Window Bound ligand 3 1
CYS 2yln Open in New Window Bound ligand 2 1
CYS 2zsv Open in New Window Bound ligand 1 1
CYS 3a9y Open in New Window Bound ligand 2 1
CYS 3bm5 Open in New Window Bound ligand 1 1
CYS 3c01 Open in New Window Bound ligand 4 1
CYS 3enj Open in New Window Bound ligand 1 1
CYS 3gvd Open in New Window Bound ligand 12 1
CYS 3p47 Open in New Window Bound ligand 1 1
CYS 3pzr Open in New Window Bound ligand 2 1
CYS 3q0e Open in New Window Bound ligand 2 1
CYS 3tz6 Open in New Window Bound ligand 1 1
CYS 3v6o Open in New Window Bound ligand 2 1
CYS 4bb2 Open in New Window Bound ligand 1 1
CYS 4bfe Open in New Window Bound ligand 3 1
CYS 4bfg Open in New Window Bound ligand 1 1
CYS 4bfi Open in New Window Bound ligand 1 1
CYS 4ff9 Open in New Window Bound ligand 1 1
CYS 4g1p Open in New Window Bound ligand 1 1
CYS 4h7o Open in New Window Bound ligand 3 1
CYS 4hpc Open in New Window Bound ligand 1 1
CYS 4iev Open in New Window Bound ligand 1 1
CYS 4iew Open in New Window Bound ligand 1 1
CYS 4jh8 Open in New Window Bound ligand 4 1
CYS 4jto Open in New Window Bound ligand 1 1
CYS 4ksz Open in New Window Bound ligand 1 1
CYS 4lmb Open in New Window Bound ligand 2 1
CYS 4nb0 Open in New Window Bound ligand 2 1
CYS 4nb1 Open in New Window Bound ligand 2 1
CYS 4otz Open in New Window Bound ligand 2 1
CYS 4owd Open in New Window Bound ligand 1 1
CYS 4qm8 Open in New Window Bound ligand 2 1
CYS 4qm9 Open in New Window Bound ligand 2 1
CYS 4xf0 Open in New Window Bound ligand 1 1
CYS 4xf1 Open in New Window Bound ligand 1 1
CYS 4xf3 Open in New Window Bound ligand 1 1
CYS 4xfg Open in New Window Bound ligand 1 1
CYS 4xfh Open in New Window Bound ligand 1 1
CYS 4ytg Open in New Window Bound ligand 1 1
CYS 4z82 Open in New Window Bound ligand 1 1
CYS 4zu9 Open in New Window Bound ligand 1 1
CYS 5b36 Open in New Window Bound ligand 2 1
CYS 5b7u Open in New Window Bound ligand 1 1
CYS 5db5 Open in New Window Bound ligand 1 1
CYS 5eh1 Open in New Window Bound ligand 1 1
CYS 5eig Open in New Window Bound ligand 3 1
CYS 5hcc Open in New Window Bound ligand 1 1
CYS 5hcd Open in New Window Bound ligand 1 1
CYS 5hce Open in New Window Bound ligand 1 1
CYS 5m5e Open in New Window Bound ligand 1 1
CYS 5tsu Open in New Window Bound ligand 3 1
CYS 5wxp Open in New Window Bound ligand 1 1
CYS 5yjg Open in New Window Bound ligand 1 1
CYS 6a80 Open in New Window Bound ligand 4 1
CYS 6a8s Open in New Window Bound ligand 2 1
CYS 6bau Open in New Window Bound ligand 3 1
CYS 6bgf Open in New Window Bound ligand 1 1
CYS 6bpr Open in New Window Bound ligand 1 1
CYS 6bps Open in New Window Bound ligand 1 1
CYS 6bpv Open in New Window Bound ligand 1 1
CYS 6bpx Open in New Window Bound ligand 1 1
CYS 6c98 Open in New Window Bound ligand 2 1
CYS 6cdn Open in New Window Bound ligand 1 1
CYS 6e3k Open in New Window Bound ligand 2 1
CYS 6e3l Open in New Window Bound ligand 2 1
CYS 6gt6 Open in New Window Bound ligand 1 1
CYS 6jvu Open in New Window Bound ligand 6 1
CYS 6ld8 Open in New Window Bound ligand 4 1
CYS 6m1t Open in New Window Bound ligand 2 1
CYS 6m4j Open in New Window Bound ligand 2 1
CYS 6n42 Open in New Window Bound ligand 1 1
CYS 6n43 Open in New Window Bound ligand 1 1
CYS 6nu1 Open in New Window Bound ligand 4 1
CYS 6nu5 Open in New Window Bound ligand 2 1
CYS 6p6d Open in New Window Bound ligand 2 1
CYS 6qio Open in New Window Bound ligand 1 1
CYS 6qip Open in New Window Bound ligand 1 1
CYS 6r89 Open in New Window Bound ligand 4 1
CYS 6t40 Open in New Window Bound ligand 1 1
CYS 6t48 Open in New Window Bound ligand 1 1
CYS 7ad6 Open in New Window Bound ligand 1 1
CYS 7ad7 Open in New Window Bound ligand 1 1
CYS 7api Open in New Window Bound ligand 1 1
CYS 7bw9 Open in New Window Bound ligand 3 1
CYS 7jwn Open in New Window Bound ligand 1 1
CYS 7o1o Open in New Window Bound ligand 1 1
CYS 7o1s Open in New Window Bound ligand 1 1
CYS 7o1t Open in New Window Bound ligand 1 1
CYS 7o25 Open in New Window Bound ligand 1 1
CYS 7o26 Open in New Window Bound ligand 1 1
CYS 7rdk Open in New Window Bound ligand 1 1
CYS 7rdm Open in New Window Bound ligand 1 1
CYS 7rs3 Open in New Window Bound ligand 1 1
CYS 8api Open in New Window Bound ligand 1 1
CYS 9api Open in New Window Bound ligand 1 1
CYS 207l Open in New Window Sub-component 1 1
CYS 2j1g Open in New Window Sub-component 1 1
CYS 2j2p Open in New Window Sub-component 13 1
CYS 2j58 Open in New Window Sub-component 8 1
CYS 5hpm Open in New Window Sub-component 2 1
CYS 5icx Open in New Window Sub-component 2 1
CYS 5nn4 Open in New Window Sub-component 2 1