Structure of PDB 7vyj Chain B Binding Site BS02

Receptor Information
>7vyj Chain B (length=679) Species: 1912 (Streptomyces hygroscopicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLVLGLNGNFSAADTDVVPQLGEVFFHDSAASLIRDGELVAAVEEERLNR
IKKTTKFPLNAVRECLALAGARPEDVDAVGYYFPENHIDTVLNHLYTEYP
RAPLRYSRELIRQRLKEGLGWDLPDEKLVYVPHHEAHAYSSYLHSGMDSA
LVLVLDGRGELHSGTVYRAEGTRLEKLADYPVPKSLGGLYLNATYLLGYG
FGDEYKVMGLAPWGNPETYRDTFAKLYTLQDNGEYELHGNIMVPNLVSPL
FYAEGFRPRRKGEPFTQAHRDFAAALQETVEKIVLHILEYWAKTSGHSRL
CFGGGVAHNSSLNGLILKSGLFDEVFVHPASHDAGAGEGAAYAAAASLGT
LERPGKRLLSASLGPALGGREQIRARLADWAPLIDVEFPDDAVETAAGLL
AEGQVLGWAYGRSEFGPRALGHRSIVADARPEENRTRINAMVKKREGFRP
FAPVVTAEAARDYFDLSGADGNHEFMSFVVPVLPERRTELGAVTHVDGTA
RVQVVSAESGERFHRLVRRFGELTGTPVLLNTSFNNNAEPIVQSLDDVVT
SFLTTDLDVLVVEDCLVRGKASPDLGVLVPRFRPVTRLVERRTAGPDASA
GAKTHEIHLDYDGGPSAKVSPELYELLGAVDGTTTLGDLAKTVGGLSDAL
ATEVFALWEQRFLTLAPAGDIGPLADDGT
Ligand information
Ligand IDCA0
InChIInChI=1S/C11H15N6O8P/c12-8-5-9(15-2-14-8)17(3-16-5)10-7(19)6(18)4(24-10)1-23-26(21,22)25-11(13)20/h2-4,6-7,10,18-19H,1H2,(H2,13,20)(H,21,22)(H2,12,14,15)/t4-,6-,7-,10-/m1/s1
InChIKeyCHSNPOFVFYPELH-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)N)O)O)N
ACDLabs 12.01O=P(OC(=O)N)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.370NC(=O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.7.2c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)N)O)O)N
CACTVS 3.370NC(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
FormulaC11 H15 N6 O8 P
Name5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine
ChEMBL
DrugBank
ZINCZINC000096095103
PDB chain7vyj Chain B Residue 702 [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]
PDB7vyj Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		H27 H137 D156 G157 R158 G187 Y190 E204 G305 N309 H332 D333
Binding residue
(residue number reindexed from 1)		H27 H137 D156 G157 R158 G187 Y190 E204 G305 N309 H332 D333
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0009058 biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7vyj, PDBe:7vyj, PDBj:7vyj
PDBsum7vyj
PubMed36329057
UniProtQ84G19

[Back to BioLiP]