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BioLiP

Structure of PDB 8wqj Chain A Binding Site BS01

Receptor Information
>8wqj Chain A (length=472) Species: 321267 (Shimia marina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAITNHLPTAELQALDVAHHMHPFSTQNDFNDTGARVITQAKGVTLTDSE
GAQILDAMAGLWCVNIGYGREELADVAARQMRELPYYNTFFKTTHVPVIA
LSAKLAELAPGDLNHVFYAGSGSEANDTNMRLVRHYWSAKGKPSKTIFIS
RKNAYHGSTMAGASLGGMVPMHQQGSLPIPDVHHINQPNWWAEGGDMSPE
EFGLQRAQELEEAILELGEDRVAAFIAEPIQGAGGVIVPPETYWPEIQRI
CDKYEILLIADEVICGFGRTGNWFGSQTVGIKPHIMSIAKGLSSGYAPIG
GSIVCDEVAEVVAATEFNHGYTYSGHPVACAVALENLRIIEEENIIGHVR
DDVAPYLKEKWEALADHPLVGEAKIVGMMGSIALTPNKETRAPFAADTGT
VGYKCREHCFGNNLVMRHVGDRMIISPPLVMTRDEVDTLIERATRALDLT
FEQIKAEDLYKSSSVDKLAAAL
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 chain8wqj Chain A Residue 501 [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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PDB8wqj Crystal Structure of Transaminase from Shimia marina
Resolution2.14 Å
Binding residue
(original residue number in PDB)		S122 G123 S124 Y156 H157 G158 E229 D262 V264 I265 K291
Binding residue
(residue number reindexed from 1)		S121 G122 S123 Y155 H156 G157 E228 D261 V263 I264 K290
Annotation score4
External links

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