Structure of PDB 1f5p Chain F Binding Site BS01
Receptor Information
>1f5p Chain F (length=149) Species:
7757
(Petromyzon marinus) [
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PIVDTGSVAPLSAAEKTKIRSAWAPVYSTYETSGVDILVKFFTSTPAAQE
FFPKFKGLTTADQLKKSADVRWHAERIINAVNDAVASMDDTEKMSMKLRD
LSGKHAKSFQVDPQYFKVLAAVIADTVAAGDAGFEKLMSMICILLRSAY
Ligand information
Ligand ID
HEM
InChI
InChI=1S/C34H34N4O4.Fe/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-;
InChIKey
KABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385
CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01
C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
Formula
C34 H32 Fe N4 O4
Name
PROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBank
DB18267
ZINC
PDB chain
1f5p Chain F Residue 150 [
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Receptor-Ligand Complex Structure
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PDB
1f5p
Crystalline ligand transitions in lamprey hemoglobin. Structural evidence for the regulation of oxygen affinity.
Resolution
2.9 Å
Binding residue
(original residue number in PDB)
F52 K54 H73 R76 I77 K104 H105 F109 Y115 F116 L145
Binding residue
(residue number reindexed from 1)
F52 K54 H73 R76 I77 K104 H105 F109 Y115 F116 L145
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0005344
oxygen carrier activity
GO:0005506
iron ion binding
GO:0016491
oxidoreductase activity
GO:0019825
oxygen binding
GO:0020037
heme binding
GO:0046872
metal ion binding
Biological Process
GO:0015671
oxygen transport
View graph for
Molecular Function
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Biological Process
External links
PDB
RCSB:1f5p
,
PDBe:1f5p
,
PDBj:1f5p
PDBsum
1f5p
PubMed
11340069
UniProt
P02208
|GLB5_PETMA Globin-5
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