Structure of PDB 5b36 Chain A Binding Site BS02

Receptor Information
>5b36 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 IDCYS
InChIInChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyXUJNEKJLAYXESH-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CS)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)S
CACTVS 3.341N[C@@H](CS)C(O)=O
ACDLabs 10.04O=C(O)C(N)CS
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)S
FormulaC3 H7 N O2 S
NameCYSTEINE
ChEMBLCHEMBL863
DrugBankDB00151
ZINCZINC000000895042
PDB chain5b36 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5b36 Role of F225 in O-phosphoserine sulfhydrylase from Aeropyrum pernix K1
Resolution2.15 Å
Binding residue
(original residue number in PDB)		K127 T152 S153 N155 F156 F225 G261 G295
Binding residue
(residue number reindexed from 1)		K126 T151 S152 N154 F155 F224 G260 G294
Annotation score5
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:5b36, PDBe:5b36, PDBj:5b36
PDBsum5b36
PubMed27377295
UniProtQ9YBL2|CYSO_AERPE Protein CysO (Gene Name=cysO)

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