Structure of PDB 7b4j Chain B Binding Site BS01

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 A Residue 1501 [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)		F323 T324
Binding residue
(residue number reindexed from 1)		F317 T318
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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