Structure of PDB 2zdp Chain A Binding Site BS02

Receptor Information
>2zdp Chain A (length=110) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AHMFMAENRLQLQKGSAEETIERFYNRQGIETIEGFQQMFVTKTLNTEDT
DEVKILTIWESEDSFNNWLNSDVFKEAHKNVRLKSDDDGQQSPILSNKVF
KYDIGYHYQK
Ligand information
Ligand IDCOH
InChIInChI=1S/C34H34N4O4.Co/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyAQTFKGDWFRRIHR-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Co][N@@]5C(=CC1=N2)C(=C(C=C)C5=CC6=NC(=Cc4c(C)c3CCC(O)=O)C(=C6C)C=C)C
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Co][N]5C(=CC1=N2)C(=C(C=C)C5=CC6=NC(=Cc4c(C)c3CCC(O)=O)C(=C6C)C=C)C
FormulaC34 H32 Co N4 O4
NamePROTOPORPHYRIN IX CONTAINING CO
ChEMBL
DrugBank
ZINC
PDB chain2zdp Chain A Residue 200 [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]
PDB2zdp Ruffling of Metalloporphyrins Bound to IsdG and IsdI, Two Heme-degrading Enzymes in Staphylococcus aureus
Resolution1.5 Å
Binding residue
(original residue number in PDB)		N6 R21 F22 R25 Q26 I28 I53 F63 W66 A75 H76 V79 N95
Binding residue
(residue number reindexed from 1)		N8 R23 F24 R27 Q28 I30 I55 F65 W68 A77 H78 V81 N97
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.99.48: heme oxygenase (staphylobilin-producing).
Gene Ontology
Molecular Function
GO:0004392 heme oxygenase (decyclizing) activity
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0033212 iron import into cell
GO:0042167 heme catabolic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2zdp, PDBe:2zdp, PDBj:2zdp
PDBsum2zdp
PubMed18713745
UniProtQ7A827|HDOX2_STAAN Heme oxygenase (staphylobilin-producing) 2 (Gene Name=isdI)

[Back to BioLiP]