Structure of PDB 8hbe Chain B Binding Site BS01
Receptor Information
>8hbe Chain B (length=572) Species:
9606
(Homo sapiens) [
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MYGFVNHALELLVIRNYGPEVWEDIKKEAQLDEEGQFLVRIIYDDSKTYD
LVAAASKVLNLNAGEILQMFGKMFFVFCQESGYDTILRVLGSNVREFLQN
LDALHDHLATIYPGMRAPSFRCTDAEKGKGLILHYYSEREGLQDIVIGII
KTVAQQIHGTEIDMKVIQQRNEECDHTQFLIEEKESRISPYTFCKAFPFH
IIFDRDLVVTQCGNAIYRVLPQLQPGNCSLLSVFSLVRPHIDISFHGILS
HINTVFVLRSKEGLLDSCLRLKGQMIYLPEADSILFLCSPSVMNLDDLTR
RGLYLSDIPLHDATRDLVLLGEQFREEYKLTQELEILTDRLQLTLRALED
EKKKTDTLLYSVLPPSVANELRHKRPVPAKRYDNVTILFSGIVGFNAFCS
KHASGEGAMKIVNLLNDLYTRFDTLTDSRKNPFVYKVETVGDKYMTVSGL
PEPCIHHARSICHLALDMMEIAGQVQVDGESVQITIGIHTGEVVTGVIGQ
RMPRYCLFGNTVNLTSRTETTGEKGKINVSEYTYRCLMSPENSDPQFHLE
HRGPVSMKGKKEPMQVWFLSRK
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
8hbe Chain B Residue 1000 [
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Receptor-Ligand Complex Structure
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PDB
8hbe
NO binds to the distal site of haem in the fully activated soluble guanylate cyclase.
Resolution
3.2 Å
Binding residue
(original residue number in PDB)
Y2 V5 F74 C78 Y83 L101 H105 L108 R116 S137 R139 I149 I150
Binding residue
(residue number reindexed from 1)
Y2 V5 F74 C78 Y83 L101 H105 L108 R116 S137 R139 I149 I150
Annotation score
1
Enzymatic activity
Enzyme Commision number
4.6.1.2
: guanylate cyclase.
Gene Ontology
Molecular Function
GO:0004016
adenylate cyclase activity
GO:0004383
guanylate cyclase activity
GO:0005515
protein binding
GO:0005525
GTP binding
GO:0016829
lyase activity
GO:0016849
phosphorus-oxygen lyase activity
GO:0020037
heme binding
GO:0038023
signaling receptor activity
GO:0044877
protein-containing complex binding
GO:0046872
metal ion binding
GO:0047805
cytidylate cyclase activity
GO:0051879
Hsp90 protein binding
GO:0070026
nitric oxide binding
Biological Process
GO:0006182
cGMP biosynthetic process
GO:0007263
nitric oxide mediated signal transduction
GO:0008015
blood circulation
GO:0009190
cyclic nucleotide biosynthetic process
GO:0019934
cGMP-mediated signaling
GO:0035556
intracellular signal transduction
GO:0038060
nitric oxide-cGMP-mediated signaling
GO:0070482
response to oxygen levels
GO:0071732
cellular response to nitric oxide
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0008074
guanylate cyclase complex, soluble
GO:0032991
protein-containing complex
GO:0098831
presynaptic active zone cytoplasmic component
GO:0098978
glutamatergic synapse
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:8hbe
,
PDBe:8hbe
,
PDBj:8hbe
PDBsum
8hbe
PubMed
36972843
UniProt
Q02153
|GCYB1_HUMAN Guanylate cyclase soluble subunit beta-1 (Gene Name=GUCY1B1)
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