Structure of PDB 5ghg Chain B Binding Site BS01

Receptor Information
>5ghg Chain B (length=433) Species: 439375 (Brucella anthropi ATCC 49188) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PNSLEARDIRYHLHSYTDAVRLEAEGPLVIERGDGIYVEDVSGKRYIEAM
SGLLSVGVGFSEPRLAEAAARQMKKLPFYHTFHGPVIDLAEKLVSMAPVP
MSKAYFTNSGSEANDTVVKLIWYRSNALGEPERKKIISRKRGYHGVTIAS
ASLTGLPNNHRSFDLPIDRILHTGCPHFYREGQAGESEEQFATRLADELE
QLIIAEGPHTIAAFIGEPVMGAGGVVVPPKTYWEKVQAVLKRYDILLIAD
EVICGFGRTGNLFGSQTFDMKPDILVMSKQLSSSYLPISAFLINERVYAP
IASGHPVAAAVALENLAIIEERDLVANARDRGTYMQKRLRELQDHPLVGE
VRGVGLIAGVELVTDKQAKTGLEPTGALGAKANAVLQERGVISRAMGDTL
AFCPPLIINDQQVDTMVSALEATLNDVQASLTR
Ligand information
Ligand IDPMP
InChIInChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
InChIKeyZMJGSOSNSPKHNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CN)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
FormulaC8 H13 N2 O5 P
Name4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
PYRIDOXAMINE-5'-PHOSPHATE
ChEMBLCHEMBL1235353
DrugBankDB02142
ZINCZINC000001532708
PDB chain5ghg Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ghg Active Site Engineering of omega-Transaminase Guided by Docking Orientation Analysis and Virtual Activity Screening
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S117 G118 S119 Y151 H152 E225 D258 V260 I261 K287
Binding residue
(residue number reindexed from 1)		S109 G110 S111 Y143 H144 E217 D250 V252 I253 K279
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y20 Y151 E225 D258 I261 K287 A424
Catalytic site (residue number reindexed from 1) Y16 Y143 E217 D250 I253 K279 A401
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004015 adenosylmethionine-8-amino-7-oxononanoate transaminase activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009102 biotin biosynthetic process
GO:0009448 gamma-aminobutyric acid metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5ghg, PDBe:5ghg, PDBj:5ghg
PDBsum5ghg
PubMed
UniProtA6WVC6

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