Structure of PDB 4w1y Chain B Binding Site BS01

Receptor Information
>4w1y Chain B (length=433) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KHLPEPFRIRVIEPVKRTTRAYREEAIIKSGMNPFLLDSEDVFIDLLTDS
GTGAVTQSMQAAMMRGDEAYSGSRSYYALAESVKNIFGYQYTIPTHQGRG
AEQIYIPVLIKKREQEKGLDRSKMVAFSNYTVRNVYIKEAFDTGVRYDFK
GNFDLEGLERGIEEVGPNNVPYIVATITSNSAGGQPVSLANLKAMYSIAK
KYDIPVVMDSARFAENAYFIKQREAEYKDWTIEQITRETYKYADMLAMSA
KKDAMVPMGGLLCMKDDSFFDVYTECRTLCVVQEGLEGGAMERLAVGLYD
GMNLDWLAYRIAQVQYLVDGLEEIGVVCQQAGGHAAFVDAGKLLPHIPAD
QFPAQALACELYKVAGIRAVEIGSCPAELLRLTIPRATYTQTHMDFIIEA
FKHVKENAANIKGLTFTYEPKVLRHFTAKLKEV
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain4w1y Chain B Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4w1y Structures of Escherichia coli tryptophanase in holo and `semi-holo' forms.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		Q101 G102 R103 S267
Binding residue
(residue number reindexed from 1)		Q97 G98 R99 S249
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y74 D227 A229 K270 I396 H463
Catalytic site (residue number reindexed from 1) Y70 D209 A211 K252 I372 H425
Enzyme Commision number 4.1.99.1: tryptophanase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005515 protein binding
GO:0009034 tryptophanase activity
GO:0016829 lyase activity
GO:0016830 carbon-carbon lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0030955 potassium ion binding
GO:0042802 identical protein binding
GO:0080146 L-cysteine desulfhydrase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006568 tryptophan metabolic process
GO:0006569 tryptophan catabolic process
GO:0009072 aromatic amino acid metabolic process
GO:0042431 indole metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane
GO:0032991 protein-containing complex
GO:0060187 cell pole

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4w1y, PDBe:4w1y, PDBj:4w1y
PDBsum4w1y
PubMed25760702
UniProtP0A853|TNAA_ECOLI Tryptophanase (Gene Name=tnaA)

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