Structure of PDB 1uwk Chain B Binding Site BS01

Receptor Information
>1uwk Chain B (length=553) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKYRDVEIRAPRGNKLTAKSWLTEAPLRMLMNNLDPQVAENPKELVVYGG
IGRAARNWECYDKIVETLTRLEDDETLLVQSGKPVGVFKTHSNAPRVLIA
NSNLVPHWANWEHFNELDAKGLAMYGQMTAGSWIYIGSQGIVQGTYETFV
EAGRQHYGGSLKGKWVLTAGLGGMGGAQPLAATLAGACSLNIESQQSRID
FRLETRYVDEQATDLDDALVRIAKYTAEGKAISIALHGNAAEILPELVKR
GVRPDMVTDQTSAHDPLNGYLPAGWTWEQYRDRAQTEPAAVVKAAKQSMA
VHVQAMLDFQKQGVPTFDYGNNIRQMAKEEGVADAFDFPGFVPAYIRPLF
CRGVGPFRWAALSGEAEDIYKTDAKVKELIPDDAHLHRWLDMARERISFQ
GLPARICWVGLGLRAKLGLAFNEMVRSGELSAPVVIGRDHLDSGSVSSPN
AETEAMRDGSDAVSDWPLLNALLNTAGGATWVSLHHGGGVGMGFSQHSGM
VIVCDGTDEAAERIARVLTNDPGTGVMRHADAGYDIAIDCAKEQGLDLPM
ITG
Ligand information
Ligand IDURO
InChIInChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
InChIKeyLOIYMIARKYCTBW-OWOJBTEDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)C=Cc1c[nH]cn1
ACDLabs 10.04O=C(O)\C=C\c1ncnc1
CACTVS 3.341OC(=O)\C=C\c1c[nH]cn1
OpenEye OEToolkits 1.5.0c1c(nc[nH]1)C=CC(=O)O
FormulaC6 H6 N2 O2
Name(2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACID
ChEMBLCHEMBL1236602
DrugBankDB01971
ZINCZINC000034633903
PDB chain1uwk Chain A Residue 1559 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1uwk Structure and Action of Urocanase
Resolution1.19 Å
Binding residue
(original residue number in PDB)		Y52 M132 T133 G144 M178 R362 D443 G493
Binding residue
(residue number reindexed from 1)		Y48 M128 T129 G140 M174 R358 D439 G489
Annotation score5
Enzymatic activity
Enzyme Commision number 4.2.1.49: urocanate hydratase.
Gene Ontology
Molecular Function
GO:0016153 urocanate hydratase activity
GO:0016829 lyase activity
Biological Process
GO:0006547 L-histidine metabolic process
GO:0006548 L-histidine catabolic process
GO:0019556 L-histidine catabolic process to glutamate and formamide
GO:0019557 L-histidine catabolic process to glutamate and formate
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:1uwk, PDBe:1uwk, PDBj:1uwk
PDBsum1uwk
PubMed15313616
UniProtP25080|HUTU_PSEPU Urocanate hydratase (Gene Name=hutU)

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