Structure of PDB 6jc9 Chain D Binding Site BS01

Receptor Information
>6jc9 Chain D (length=508) Species: 1074250 (Actinoalloteichus sp. WH1-2216-6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEPVYADAVLNGWLTSMGLGVEYVRAEGNTVYYLDDEGREVPVLDHACGF
GSLIFGHNHPEIIAHAKAALDAGTVVHAQLSRQPRANQISRILNDIMRRE
TGRDDRYNAIFANSGAEANEICMKHAELERQERITALFAEIDAELDTARE
ALTTGTATLDTLPLVDVDGVIADIHRHNDERRAERPLFLTLDGSFHGKLV
GSIQLTQNEPWRTPFTALSSPARFLPADEPELIGKIVEDERRSVLTLSLD
TVRVVERDFPVVAAIFVEPVRGGSGMKTVTPELAEELHRLRDTLGCPLVV
DEVQTGIGRTGAFFGSALLGIRGDYYTLAKAIGGGIVKNSVALIRQDRFL
PAMEVIHSSTFAKDGLSASIALKVLEMVEADGGRVYQRVRERGQRLEAML
ESVRADHSDVVSAVWGTGLMLALELRDQSNATSQAIREKAAHGFLGYVLA
GFLLREHHIRVLPAGPRSGFLRFSPSLYITDEEIDRTETALRSLFTALRD
QDGDRLVL
Ligand information
Ligand IDGLN
InChIInChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
InChIKeyZDXPYRJPNDTMRX-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)N)C(C(=O)O)N
OpenEye OEToolkits 1.5.0C(CC(=O)N)[C@@H](C(=O)O)N
ACDLabs 10.04O=C(N)CCC(N)C(=O)O
CACTVS 3.341N[CH](CCC(N)=O)C(O)=O
CACTVS 3.341N[C@@H](CCC(N)=O)C(O)=O
FormulaC5 H10 N2 O3
NameGLUTAMINE
ChEMBLCHEMBL930
DrugBankDB00130
ZINCZINC000001532526
PDB chain6jc9 Chain C Residue 603 [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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PDB6jc9 Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		F55 F207 K344
Binding residue
(residue number reindexed from 1)		F50 F195 K330
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) V26 F207 E282 D315 Q318 K344 R486
Catalytic site (residue number reindexed from 1) V21 F195 E268 D301 Q304 K330 R472
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding

View graph for
Molecular Function
External links
PDB RCSB:6jc9, PDBe:6jc9, PDBj:6jc9
PDBsum6jc9
PubMed32814814
UniProtH8Y6N2

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