Structure of PDB 5ghf Chain A Binding Site BS01

Receptor Information
>5ghf Chain A (length=431) Species: 439375 (Brucella anthropi ATCC 49188) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPNSLEARDIRYHLHSYTDAVRLEAEGPLVIERGDGIYVEDVSGKRYIEA
MSGLWSVGVGFSEPRLAEAAARQMKKLPFYHGPVIDLAEKLVSMAPVPMS
KAYFTNSGSEANDTVVKLIWYRSNALGEPERKKIISRKRGYHGVTIASAS
LTGLPNNHRSFDLPIDRILHTGCPHFYREGQAGESEEQFATRLADELEQL
IIAEGPHTIAAFIGEPVMGAGGVVVPPKTYWEKVQAVLKRYDILLIADEV
ICGFGRTGNLFGSQTFDMKPDILVMSKQLSSSYLPISAFLINERVYAPIA
SGHPVAAAVALENLAIIEERDLVANARDRGTYMQKRLRELQDHPLVGEVR
GVGLIAGVELVTDKQAKTGLEPTGALGAKANAVLQERGVISRAMGDTLAF
CPPLIINDQQVDTMVSALEATLNDVQASLTR
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 chain5ghf Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ghf 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)		S107 G108 S109 Y141 H142 E215 D248 V250 I251 K277
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y151 E225 D258 I261 K287 A424
Catalytic site (residue number reindexed from 1) Y141 E215 D248 I251 K277 A399
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
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Biological Process
External links
PDB RCSB:5ghf, PDBe:5ghf, PDBj:5ghf
PDBsum5ghf
PubMed
UniProtA6WVC6

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