Structure of PDB 4n6b Chain D Binding Site BS02

Receptor Information
>4n6b Chain D (length=232) Species: 3847 (Glycine max) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGWVWGQIKAEARRDAESEPALASYLYSTILSHSSLERSLSFHLGNKLCS
STLLSTLLYDLFLNAFSSDPSLRSAAVADLRAARERDVSYSHCLLNYKGF
LACQAHRVAHLLWRQSRRPLALALHSRIANVFAVDIHPAARIGKGILFDH
ATGVVVGETAVIGNNVSILHHVTLGGTGDRHPKIGDGVLIGAGATILGNI
KIGEGAKVGAGSVVLIDVPPRTTAVGNPARLV
Ligand information
Ligand IDCOA
InChIInChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
InChIKeyRGJOEKWQDUBAIZ-IBOSZNHHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
CACTVS 3.341CC(C)(CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCS
OpenEye OEToolkits 1.5.0CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O
CACTVS 3.341CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCS
ACDLabs 10.04O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
FormulaC21 H36 N7 O16 P3 S
NameCOENZYME A
ChEMBLCHEMBL1213327
DrugBankDB01992
ZINCZINC000008551087
PDB chain4n6b Chain E Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4n6b Structure of soybean serine acetyltransferase and formation of the cysteine regulatory complex as a molecular chaperone.
Resolution3.005 Å
Binding residue
(original residue number in PDB)		G195 L220 V236 L238 N250
Binding residue
(residue number reindexed from 1)		G176 L197 V213 L215 N227
Annotation score3
Enzymatic activity
Enzyme Commision number 2.3.1.30: serine O-acetyltransferase.
Gene Ontology
Molecular Function
GO:0009001 serine O-acetyltransferase activity
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
Biological Process
GO:0006535 cysteine biosynthetic process from serine
GO:0008652 amino acid biosynthetic process
GO:0019344 cysteine biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4n6b, PDBe:4n6b, PDBj:4n6b
PDBsum4n6b
PubMed24225955
UniProtI1KHY6

[Back to BioLiP]