Structure of PDB 1wkv Chain A Binding Site BS01

Receptor Information
>1wkv Chain A (length=382) Species: 272557 (Aeropyrum pernix K1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALADISGYLDVLDSVRGFSYLENAREVLRSGEARCLGNPRSEPEYVKALY
VIGASRIPVGDGCSHTLEELGVFDISVPGEMVFPSPLDFFERGKPTPLVR
SRLQLPNGVRVWLKLEWYNPFSLSVKDRPAVEIISRLSRRVEKGSLVADA
TSSNFGVALSAVARLYGYRARVYLPGAAEEFGKLLPRLLGAQVIVDPEAP
STVHLLPRVMKDSKNEGFVHVNQFYNDANFEAHMRGTAREIFVQSRRGGL
ALRGVAGSLGTSGHMSAAAFYLQSVDPSIRAVLVQPAQGDSIPGIRRVET
GMLWINMLDISYTLAEVTLEEAMEAVVEVARSDGLVIGPSGGAAVKALAK
KAAEGDLEPGDYVVVVPDTGFKYLSLVQNALE
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 chain1wkv Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wkv Three-dimensional Structure of a New Enzyme, O-Phosphoserine Sulfhydrylase, involved in l-Cysteine Biosynthesis by a Hyperthermophilic Archaeon, Aeropyrum pernix K1, at 2.0A Resolution
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K127 N155 G261 T262 S263 H265 I296 S341 P368 D369
Binding residue
(residue number reindexed from 1)		K126 N154 G260 T261 S262 H264 I295 S340 P367 D368
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K127 S341
Catalytic site (residue number reindexed from 1) K126 S340
Enzyme Commision number 2.5.1.47: cysteine synthase.
2.5.1.65: O-phosphoserine sulfhydrylase.
4.2.1.22: cystathionine beta-synthase.
Gene Ontology
Molecular Function
GO:0004122 cystathionine beta-synthase activity
GO:0004124 cysteine synthase activity
GO:0016740 transferase activity
GO:0016829 lyase activity
GO:0033847 O-phosphoserine sulfhydrylase activity
Biological Process
GO:0006534 cysteine metabolic process
GO:0006535 cysteine biosynthetic process from serine
GO:0009069 serine family amino acid metabolic process
GO:0019344 cysteine biosynthetic process
GO:0044272 sulfur compound biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1wkv, PDBe:1wkv, PDBj:1wkv
PDBsum1wkv
PubMed16005886
UniProtQ9YBL2|CYSO_AERPE Protein CysO (Gene Name=cysO)

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