Structure of PDB 1gk0 Chain B Binding Site BS02

Receptor Information
>1gk0 Chain B (length=522) Species: 306 (Pseudomonas sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNSWAVAPGKTANGNALLLQNPHLSWTTDYFTYYEAHLVTPDFEIYGATQ
IGLPVIRFAFNQRMGITNTVNGMVGATNYRLTLQDGGYLYDGQVRPFERR
QASYRLRQADGTTVDKPLEIRSSVHGPVFERADGTAVAVRVAGLDRPGML
EQYFDMITADSFDDYEAALARMQVPTFNIVYADREGTINYSFNGVAPKRA
EGDIAFWQGLVPGDSSRYLWTETHPLDDLPRVTNPPGGFVQNSNDPPWTP
TWPVTYTPKDFPSYLAPQTPHSLRAQQSVRLMSENDDLTLERFMALQLSH
RAVMADRTLPDLIPAALIDPDPEVQAAARLLAAWDREFTSDSRAALLFEE
WARLFAGQNFAGQAGFATPWSLDKPVSTPYGVRDPKAAVDQLRTAIANTK
RKYGAIDRPFGDASRMILNDVNVPGAAGYGNLGSFRVFTWSDPDENGVRT
PVHGETWVAMIEFSTPVRAYGLMSYGNSRQPGTTHYSDQIERVSRADFRE
LLLRREQVEAAVQERTPFNFKP
Ligand information
Ligand IDEDO
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChIKeyLYCAIKOWRPUZTN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		OCCO
OpenEye OEToolkits 1.5.0C(CO)O
FormulaC2 H6 O2
Name1,2-ETHANEDIOL;
ETHYLENE GLYCOL
ChEMBLCHEMBL457299
DrugBank
ZINCZINC000005224354
PDB chain1gk0 Chain B Residue 1524 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gk0 Structure-Based Prediction of Modifications in Glutarylamidase to Allow Single-Step Enzymatic Production of 7-Aminocephalosporanic Acid from Cephalosporin C.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R57 T69 F177
Binding residue
(residue number reindexed from 1)		R57 T69 F177
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S1 H23 V70 N244 E455
Catalytic site (residue number reindexed from 1) S1 H23 V70 N244 E455
Enzyme Commision number 3.5.1.93: glutaryl-7-aminocephalosporanic-acid acylase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
Biological Process
GO:0017000 antibiotic biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1gk0, PDBe:1gk0, PDBj:1gk0
PDBsum1gk0
PubMed11742126
UniProtP07662|G7AC_PSEU7 Glutaryl-7-aminocephalosporanic-acid acylase

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