Structure of PDB 1bin Chain A Binding Site BS02

Receptor Information
>1bin Chain A (length=143) Species: 3847 (Glycine max) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VAFTEKQDALVSSSFEAFKANIPQYSVVFYTSILEKAPAAKDLFSFLANG
VDPTNPKLTGHAEKLFALVRDSAGQLKASGTVVADAALGSVHAQKAVTDP
QFVVVKEALLKTIKAAVGDKWSDELSRAWEVAYDELAAAIKKA
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 chain1bin Chain A Residue 144 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bin Characterization of recombinant soybean leghemoglobin a and apolar distal histidine mutants.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		L43 F44 S45 H61 L65 L88 H92 V97 Q101 F102 V105 Y133 A137 I140
Binding residue
(residue number reindexed from 1)		L43 F44 S45 H61 L65 L88 H92 V97 Q101 F102 V105 Y133 A137 I140
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:0009399 nitrogen fixation
GO:0009877 nodulation
GO:0015671 oxygen transport
GO:0032025 response to cobalt ion
GO:1901698 response to nitrogen compound
GO:1904880 response to hydrogen sulfide
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1bin, PDBe:1bin, PDBj:1bin
PDBsum1bin
PubMed9086279
UniProtP02238|LGB3_SOYBN Leghemoglobin 3 (Gene Name=LB3)

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