Structure of PDB 6nvw Chain B Binding Site BS01

Receptor Information
>6nvw Chain B (length=527) Species: 1404 (Priestia megaterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNAAIVGSEKSATGNALLFSGPQVGFVAPGFLYEVGLHAPGFDMEGSGFI
GYPFIMFGANNHFALSATAGYGNVTDIFEEKLNAKNSSQYLYKGKWRDME
KRKESFTVKGDNGEKKTVEKIYYRTVHGPVISRDETNKVAYSKSWSFRGT
EAQSMSAYMKANWAKNLKEFENAASEYTMSLNWYYADKKGDIAYYHVGRY
PVRNSKIDERIPTPGTGEYEWKGFIPFKENPHVINPKNGYVVNWNNKPSK
EWVNGEYSFYWGEDNRVQQYINGMEARGKVTLEDINEINYTASFAQLRAN
LFKQLLIDVLDKNKSTNGNYIYLIEKLEEWNNLKEDENKDGYYDAGIAAF
FDEWWNNLHDKLFMDELGDFYGITKEITDHRYGASLAYKILNKESTNYKW
VNVDQEKIIMESTNEVLAKLQSEKGLKAEKWRMPIKTMTFGEKSLIGIPH
GYGSMTPIIEMNRGSENHYIEMTPTGPSGFNITPPGQIGFVKKDGTISDH
YDDQLVMFAEWKFKPYLFNKKDINKAA
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 chain6nvw Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6nvw Crystal structures and protein engineering of three different penicillin G acylases from Gram-positive bacteria with different thermostability.
Resolution2.203 Å
Binding residue
(original residue number in PDB)		N73 T75 D76 E256
Binding residue
(residue number reindexed from 1)		N73 T75 D76 E256
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S1 Q23 A69 N245 N467
Catalytic site (residue number reindexed from 1) S1 Q23 A69 N245 N467
Enzyme Commision number 3.5.1.11: penicillin amidase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
Biological Process
GO:0017000 antibiotic biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6nvw, PDBe:6nvw, PDBj:6nvw
PDBsum6nvw
PubMed31227867
UniProtQ60136|PAC_PRIMG Penicillin G acylase (Gene Name=pac)

[Back to BioLiP]