Chemical Components in the PDB

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DCY : Summary

Code

DCY

One-letter code

C

Molecule name

D-CYSTEINE

Systematic names

ProgramVersionName
ACDLabs 10.04 D-cysteine
OpenEye OEToolkits 1.5.0 (2S)-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-/m1/s1

IUPAC InChI key

XUJNEKJLAYXESH-UWTATZPHSA-N
DCY

wwPDB Information

Atom count

14 (7 without Hydrogen)

Polymer type

Amino Acid

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

CYS

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned



DCY : 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 -0.113 0.0 -1.591
2 CA C CA S N N 0 0.145 0.444 -0.175
3 CB C CB N N N 0 -0.537 -0.521 0.795
4 H H H N N N 0 2.01 1.018 -0.644
5 H2 H HN2 N N Y 0 1.917 -0.491 -0.065
6 HA H HA N N N 0 -0.255 1.447 -0.03
7 HB2 H 1HB N N N 0 -1.61 -0.527 0.606
8 HB3 H 2HB N N N 0 -0.137 -1.525 0.651
9 HG H HG N N N 0 -0.893 -0.942 3.171
10 HXT H HXT N N Y 0 -1.356 0.166 -3.16
11 N N N N N N 0 1.592 0.453 0.079
12 O O O N N N 0 0.649 -0.765 -2.133
13 OXT O OXT N N Y 0 -1.19 0.452 -2.251
14 SG S SG N N N 0 -0.226 0.014 2.5



DCY : 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 1.35 N N
13 OXT HXT O H sing 0.97 N N



DCY : Used in PDB Entries

Total Number of PDB Entries: 67
Ligand Code PDB Entry ID Type Total Distinct
DCY 1c4b Open in New Window Polymer component 1 1
DCY 1czq Open in New Window Polymer component 2 2
DCY 1e9w Open in New Window Polymer component 1 1
DCY 1f57 Open in New Window Bound ligand 1 1
DCY 1oln Open in New Window Polymer component 1 1
DCY 1pcg Open in New Window Polymer component 2 1
DCY 1xbh Open in New Window Polymer component 1 1
DCY 2aou Open in New Window Polymer component 1 1
DCY 2jq7 Open in New Window Polymer component 1 1
DCY 2jue Open in New Window Polymer component 6 6
DCY 2kql Open in New Window Polymer component 6 6
DCY 2l2w Open in New Window Polymer component 1 1
DCY 2l2z Open in New Window Polymer component 1 1
DCY 2q33 Open in New Window Polymer component 1 1
DCY 2q3i Open in New Window Polymer component 2 2
DCY 2r3c Open in New Window Polymer component 4 2
DCY 2r5b Open in New Window Polymer component 6 2
DCY 2r5d Open in New Window Polymer component 6 2
DCY 3ax3 Open in New Window Polymer component 4 1
DCY 3ax5 Open in New Window Polymer component 2 1
DCY 3bog Open in New Window Polymer component 8 4
DCY 3cf5 Open in New Window Polymer component 1 1
DCY 3fie Open in New Window Polymer component 2 1
DCY 3go0 Open in New Window Polymer component 12 6
DCY 3l35 Open in New Window Polymer component 6 2
DCY 3l36 Open in New Window Polymer component 2 2
DCY 3l37 Open in New Window Polymer component 2 2
DCY 3mgn Open in New Window Polymer component 12 2
DCY 3ue7 Open in New Window Polymer component 6 6
DCY 4g35 Open in New Window Polymer component 1 1
DCY 4gls Open in New Window Polymer component 16 8
DCY 4glu Open in New Window Polymer component 48 8
DCY 4hp2 Open in New Window Polymer component 2 1
DCY 4oij Open in New Window Polymer component 12 6
DCY 4oik Open in New Window Polymer component 12 6
DCY 4ttk Open in New Window Polymer component 2 2
DCY 4ttm Open in New Window Polymer component 6 6
DCY 4ttn Open in New Window Polymer component 6 6
DCY 4tto Open in New Window Polymer component 6 6
DCY 5d8h Open in New Window Polymer component 1 1
DCY 5e5t Open in New Window Polymer component 24 12
DCY 5e5y Open in New Window Polymer component 24 12
DCY 5hhd Open in New Window Polymer component 16 8
DCY 5i0r Open in New Window Bound ligand 1 1
DCY 5i0u Open in New Window Bound ligand 1 1
DCY 5i5a Open in New Window Polymer component 6 6
DCY 5i5b Open in New Window Polymer component 6 6
DCY 5inz Open in New Window Polymer component 6 6
DCY 5kx0 Open in New Window Polymer component 1 1
DCY 5lfh Open in New Window Polymer component 1 1
DCY 5nes Open in New Window Polymer component 2 2
DCY 5nf0 Open in New Window Polymer component 6 2
DCY 5ngq Open in New Window Polymer component 1 1
DCY 5ojt Open in New Window Polymer component 1 1
DCY 5u9t Open in New Window Polymer component 3 1
DCY 5u9u Open in New Window Polymer component 3 1
DCY 6bes Open in New Window Polymer component 2 2
DCY 6beu Open in New Window Polymer component 1 1
DCY 6c1d Open in New Window Polymer component 1 1
DCY 6cnu Open in New Window Polymer component 6 6
DCY 6jv7 Open in New Window Polymer component 6 6
DCY 6kzf Open in New Window Polymer component 6 6
DCY 6l63 Open in New Window Polymer component 2 1
DCY 6mxf Open in New Window Polymer component 1 1
DCY 6psa Open in New Window Polymer component 2 2
DCY 6pv9 Open in New Window Polymer component 1 1
DCY 6qtf Open in New Window Polymer component 1 1