Structure of PDB 1n31 Chain B Binding Site BS01

Receptor Information
>1n31 Chain B (length=386) Species: 1147 (Synechocystis sp. PCC 6714) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPDRHQFPGLANKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAAN
QHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGLDWHQGDEI
LLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGDAAAVLANHLGPK
TRLVILSHLLWNTGQVLPLAEIMAVCRRHQGNYPVRVLVDGAQSAGSLPL
DFSRLEVDYYAFTGHAWFAGPAGVGGLYIHGDCLGEINPTYVGWRSITYG
AKGEPTGWAEGGKRFEVATSAYPQYAGLLAALQLHQRQGTAEERYQAICQ
RSEFLWRGLNQLPHVHCLATSAPQAGLVSFTVDSPLGHRAIVQKLEEQRI
YLRTIADPDCIRACCHYITDEEEINHLLARLADFGP
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 chain1n31 Chain A Residue 2001 [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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PDB1n31 Snapshots of the Cystine Lyase "C-DES" during Catalysis: Studies in Solution and in the Crystalline State
Resolution2.2 Å
Binding residue
(original residue number in PDB)		A275 T276
Binding residue
(residue number reindexed from 1)		A268 T269
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H114 D197 A199 Q200 A223 R360
Catalytic site (residue number reindexed from 1) H107 D190 A192 Q193 A216 R353
Enzyme Commision number 4.4.1.-
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:1n31, PDBe:1n31, PDBj:1n31
PDBsum1n31
PubMed12386155
UniProtQ9ZHG9

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