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Structure of PDB 1gk1 Chain B Binding Site BS01

Receptor Information
>1gk1 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 IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain1gk1 Chain B Residue 1523 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1gk1 Structure-Based Prediction of Modifications in Glutarylamidase to Allow Single-Step Enzymatic Production of 7-Aminocephalosporanic Acid from Cephalosporin C.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		S1 Y33 R57 T69 V70
Binding residue
(residue number reindexed from 1)		S1 Y33 R57 T69 V70
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:1gk1, PDBe:1gk1, PDBj:1gk1
PDBsum1gk1
PubMed11742126
UniProtP07662|G7AC_PSEU7 Glutaryl-7-aminocephalosporanic-acid acylase

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