Structure of PDB 6nvx Chain B Binding Site BS01

Receptor Information
>6nvx Chain B (length=527) Species: 1679168 (Bacillus sp. FJAT-27231) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNAMIIGAKKSKSGNALLFSGPQVGFVAPGFLYEVGLHSPGFDMEGSGFI
GYPFIMFGANQHLALTATAGYGNVTDIFEEKLNPANSTQYFYKGKWRNME
KRTETFIVRGEDGKSKKIEETFFHTVHGPVISLDKEKNVAYSKSWSFRGT
EAKSIQAYMKANWAKNVKEFQQAASEFTMSLNWYYADKKGNIAYYHVGKY
PIRSNQIDDRFPTPGTGEYEWKGFQSFAKNPQAINPKKGYVVNWNNKPSK
YWRNGEYSIVWGKDNRVQQFINGIEARGKVDLKDLNEINYTASFAQLRTH
YFKPLLIKTLEKYQSENKEYAYLVEQLRKWNNLKEDKNHDGYYDAGVAAF
FDEWWNNTHDKLFNDSLGIVSDLTREITDHRMGATLAYKVLSGEPTNYQW
KSKEEAEKIILESTDEALAKLHKEKGEEADKWRAPIKTMTFGAKSLIAIP
HGYGSKTEIIEMNRGSENHYIEMTPKQPEGFNVTPPGQIGFIHKDGTLSE
HYEDQLSLYANWKFKPFLFDKKDVKRA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6nvx Chain B Residue 605 [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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PDB6nvx Crystal structures and protein engineering of three different penicillin G acylases from Gram-positive bacteria with different thermostability.
Resolution1.36 Å
Binding residue
(original residue number in PDB)		D336 N338 D340 Y342 D344
Binding residue
(residue number reindexed from 1)		D336 N338 D340 Y342 D344
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S1 Q23 A69 N245 N468
Catalytic site (residue number reindexed from 1) S1 Q23 A69 N245 N468
Enzyme Commision number ?
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:6nvx, PDBe:6nvx, PDBj:6nvx
PDBsum6nvx
PubMed31227867
UniProtA0A0K9H482

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