Structure of PDB 1hlm Chain A Binding Site BS01

Receptor Information
>1hlm Chain A (length=158) Species: 7698 (Molpadia arenicola) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GATQSFQSVGDLTPAEKDLIRSTWDQLMTHRTGFVADVFIRIFHNDPTAQ
RKFPQMAGLSPAELRTSRQMHAHAIRVSALMTTYIDEMDTEVLPELLATL
TRTHDKNHVGKKNYDLFGKVLMEAIKAELGVGFTKQVHDAWAKTFAIVQG
VLITKHAS
Ligand information
Ligand IDHEM
InChIInChI=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-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(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 3.385CC1=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 12.01C=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
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain1hlm Chain A Residue 159 [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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PDB1hlm Amino acid sequence of a globin from the sea cucumber Caudina (Molpadia) arenicola.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		Q55 V77 L100 T103 H104 V109 N113 F117
Binding residue
(residue number reindexed from 1)		Q55 V77 L100 T103 H104 V109 N113 F117
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005344 oxygen carrier 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
View graph for
Biological Process
External links
PDB RCSB:1hlm, PDBe:1hlm, PDBj:1hlm
PDBsum1hlm
PubMed2049384
UniProtP80017|GLBD_MOLAR Globin D, coelomic

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