Structure of PDB 6o49 Chain B Binding Site BS01

Receptor Information
>6o49 Chain B (length=189) Species: 320372,559292 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETHINLKVSDGSSEIFFKIKKTTPLRRLMEAFAKRQEMDSLRFLYDGIRI
QADQTPEDLDMEDNDIIEAHREQIGGSTVVTTESGLKYEDLTEGSGAEAR
AGQTVSVHYTGWLTDGQKFDSSKDRNDPFAFVLGGGMVIKGWDEGVQGMK
VGGVRRLTIPPQLGYGARGAGGVIPPNATLVFEVELLDV
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 chain6o49 Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6o49 CRYSTAL STRUCTURE OF SMT FUSION PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FROM BURKHOLDERIA PSEUDOMALLEI COMPLEXED WITH SF339
Resolution1.85 Å
Binding residue
(original residue number in PDB)		D51 P52
Binding residue
(residue number reindexed from 1)		D127 P128
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y33 F43 D44 I63 Y89 F106
Catalytic site (residue number reindexed from 1) Y109 F119 D120 I139 Y165 F182
Enzyme Commision number 5.2.1.8: peptidylprolyl isomerase.
Gene Ontology
Molecular Function
GO:0003755 peptidyl-prolyl cis-trans isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0006457 protein folding

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Molecular Function
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Biological Process
External links
PDB RCSB:6o49, PDBe:6o49, PDBj:6o49
PDBsum6o49
PubMed
UniProtQ12306|SMT3_YEAST Ubiquitin-like protein SMT3 (Gene Name=SMT3);
Q3JK38

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