Structure of PDB 6snu Chain A Binding Site BS01

Receptor Information
>6snu Chain A (length=452) Species: 536 (Chromobacterium violaceum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTTSQWRELDAAHHLHPFTDTASLNQAGARVMTRGEGVYLWDSEGNKIID
GMAGLCCVNVGYGRKDFAEAARRQMEELPFYNTFFKTTHPAVVELSSLLA
EVTPAGFDRVFYTNSGSESVDTMIRMVRRYWDVQGKPEKKTLIGRWNGYH
GSTIGGASLGGMKYMHEQGDLPIPGMAHIEQPWWYKHGKDMTPDEFGVVA
ARWLEEKILEIGADKVAAFVGEPIQGAGGVIVPPATYWPEIERICRKYDV
LLVADEVICGFGRTGEWFGHQHFGFQPDLFTAAKGLSSGYLPIGAVFVGK
RVAEGLIAGGDFNHGFTYSGHPVCAAVAHANVAALRDEGIVQRVKDDIGP
YMQKRWRETFSRFEHVDDVRGVGMVQAFTLVKNKAKRELFPDFGEIGTLC
RDIFFRNNLIMRACGDHIVSAPPLVMTRAEVDEMLAVAERCLEEFEQTLK
AR
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain6snu Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6snu Crystal Structures Combined with Molecular Dynamics Reveal Altered Flow of Water in the Active Site of W60C Chromobacterium violaceum omega-transaminase
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S119 G120 S121 Y153 G155 E226 D259 V261 I262 K288
Binding residue
(residue number reindexed from 1)		S115 G116 S117 Y149 G151 E222 D255 V257 I258 K284
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) F22 Y153 D259 K288
Catalytic site (residue number reindexed from 1) F18 Y149 D255 K284
Enzyme Commision number 2.6.1.-
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:6snu, PDBe:6snu, PDBj:6snu
PDBsum6snu
PubMed
UniProtA0A1R0MXM9

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