Structure of PDB 3cep Chain B Binding Site BS02

Receptor Information
>3cep Chain B (length=393) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTLLNPYFGEFGGMYVPQILMPALNQLEEAFVSAQKDPEFQAQFADLLKN
YAGRPTALTKCQNITAGTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRM
GKSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRL
MGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIV
REFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVG
LIGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSIS
AGLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALES
SHALAHALKMMREQPEKEQLLVVNLSGRGDKDIFTVHDILKAR
Ligand information
Ligand IDMH6
InChIInChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h4-5H,1H2,(H,6,7)/b4-2+
InChIKeyMUHXUPVPXJXCGV-DUXPYHPUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0[H]/N=C(\CO)/C(=O)O
CACTVS 3.370OCC(=N)C(O)=O
OpenEye OEToolkits 1.7.0C(C(=N)C(=O)O)O
ACDLabs 12.01O=C(O)C(=[N@H])CO
FormulaC3 H5 N O3
Name3-hydroxy-2-iminopropanoic acid
ChEMBL
DrugBank
ZINC
PDB chain3cep Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3cep Structure and mechanistic implications of a tryptophan synthase quinonoid intermediate.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K87 T110 G111 A112 G113 Q114 H115
Binding residue
(residue number reindexed from 1)		K86 T109 G110 A111 G112 Q113 H114
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.20: tryptophan synthase.
Gene Ontology
Molecular Function
GO:0004834 tryptophan synthase activity
GO:0005515 protein binding
GO:0016829 lyase activity
GO:0042802 identical protein binding
Biological Process
GO:0000162 tryptophan biosynthetic process
GO:0006568 tryptophan metabolic 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:3cep, PDBe:3cep, PDBj:3cep
PDBsum3cep
PubMed18351684
UniProtP0A2K1|TRPB_SALTY Tryptophan synthase beta chain (Gene Name=trpB)

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