Structure of PDB 8jij Chain A Binding Site BS01

Receptor Information
>8jij Chain A (length=411) Species: 4442 (Camellia sinensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSLTITEPMEAFMAGVLVRYRKTLIEKTKYHLGYPFNLDLDYGPLAELQH
FAINNLGDPFIESNYGVHSRQFEVGVLDWFARLWEIEQKEYWGYITNGGT
EGNLHGILIGREVFPDGIFYTSRESHYSIFKAARMYRMECVKVGTLINGE
IDCADFKAKLLSNKDKPAIINLNIGTTVKGAVDDIDLVIQTLEECGFSHD
RFYIHCDGALFGFMMPFLNRGPKITFKKPIGSVSVSGHKFMGCPTPCGVQ
ITRLEHINALSRNVEYLASRDATITGSRNGHSPIILWYALNRKGFKGFQK
EVQKCLRNAHYLKDRLREAGISAMLNELSSTVVFERPLDEEFVRRWQLAC
EGNMAHVIVMPNVTIEKLDEFLNELVQKRANWYNDGKAGPPCLAPDIGSE
NCDCDLHKLKH
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 chain8jij 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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PDB8jij Crystal structure of alanine decarboxylase
Resolution2.5 Å
Binding residue
(original residue number in PDB)		G168 G169 T170 H196 T247 D277 A279 H308 K309
Binding residue
(residue number reindexed from 1)		G98 G99 T100 H126 T177 D207 A209 H238 K239
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links