Structure of PDB 7b4j Chain B Binding Site BS02

Receptor Information
>7b4j Chain B (length=452) Species: 306 (Pseudomonas sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLAEKDIQYQLHPYTNARLHQELGPLIIERGQGIYVYDDQGKGYIEAMAG
LMSVALGFSNQRLIKAAEQQFNTLPFYHLLNHKSHRPSIELAEKLIEMAP
VPMSKVFFTNSGSEANDTVVKFVWYLNNALGKPAKKKFISRVNGYHGVTV
ASASLTGLPGNQRGFDLPLPGFLHVGCPHHYRFALAGESEEHFADRLAVE
LEQKILAEGPETIAAFIGEPLMGAGGVIVPPRTYWEKIQKVCRKYDILVI
ADEVICGFGRTGQMFGSQTFGIQPDIMVLSKQLSSSYQPIAAILINAPVF
EGIADQSQALGALGHGFTGSGHPVATAVALENLKIIEEESLVEHAAQMGQ
LLRSGLQHFIDHPLVGEIRGCGLIAAVELVGDRVSKAPYQALGTLGRYMA
GRAQEHGMITLAMGDAVAFCPPLIVNEQEVGMIVERFARALDDTTQWVGP
GG
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 chain7b4j Chain B Residue 1102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7b4j Computational Redesign of an omega-Transaminase from Pseudomonas jessenii for Asymmetric Synthesis of Enantiopure Bulky Amines.
Resolution1.9 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)		S111 G112 S113 Y145 H146 E219 D252 V254 I255 K281
Annotation score1
Enzymatic activity
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:7b4j, PDBe:7b4j, PDBj:7b4j
PDBsum7b4j
PubMed34504735
UniProtA0A2W0F5X5

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