Structure of PDB 2c44 Chain D Binding Site BS01

Receptor Information
>2c44 Chain D (length=466) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KHLPEPFRIRVIEPVKRTTRAYREEAIIKSGMNPFLLDSEDVFIDLLTDS
GTGAVTQSMQAAMMRGDEAYSGSRSYYALAESVKNIFGYQYTIPTHQGRG
AEQIYIPVLIKKREQEKGLDRSKMVAFSNYFFDTTQGHSQINGCTVRNVY
IKEAFDTGVRYDFKGNFDLEGLERGIEEVGPNNVPYIVATITSNSAGGQP
VSLANLKAMYSIAKKYDIPVVMDSARFAENAYFIKQREAEYKDWTIEQIT
RETYKYADMLAMSAKKDAMVPMGGLLCMKDDSFFDVYTECRTLCVVQEGF
PTYGGLEGGAMERLAVGLYDGMNLDWLAYRIAQVQYLVDGLEEIGVVCQQ
AGGHAAFVDAGKLLPHIPADQFPAQALACELYKVAGIRAVEIGSFLLGRD
PKTGKQLPCPAELLRLTIPRATYTQTHMDFIIEAFKHVKENASNIKGLTF
TYEPKVLRHFTAKLKE
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 chain2c44 Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2c44 Structure of Escherichia Coli Tryptophanase
Resolution2.8 Å
Binding residue
(original residue number in PDB)		G451 K469 E470
Binding residue
(residue number reindexed from 1)		G447 K465 E466
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y74 F136 D137 D227 A229 K270 I396 H463
Catalytic site (residue number reindexed from 1) Y70 F132 D133 D223 A225 K266 I392 H459
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:2c44, PDBe:2c44, PDBj:2c44
PDBsum2c44
PubMed16790938
UniProtP0A853|TNAA_ECOLI Tryptophanase (Gene Name=tnaA)

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