Structure of PDB 5b3v Chain A Binding Site BS03

Receptor Information
>5b3v Chain A (length=317) Species: 1111708 (Synechocystis sp. PCC 6803 substr. Kazusa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPVRVGIVGTGYAAQRRAEVFRGDRRSQLVSFWGNSEANTAKFADTFGVR
PQQSWQALINDPEIDLVLIATINQLHGAIAEAALQAGKHVVLEYPLALTY
AMGKKLQQLAREKGKLLHVEHIELLGGVHQAIRQNLGKIGEVFYARYSTI
MGQNPAPQRWTYHHQQFGFPLVAALSRISRFTDLFGTVQQVDAQCRFWDQ
PNPEYFRACLATAYLQFNNGLKAEVIYGKGEVFHQNERIFTLHGDRGTLI
FVGETGRLIQGQTETEITVGSRRGLFRQDTEAVLDYLTTGKPLYVDLEAS
LYALEVADLCAQACGYK
Ligand information
Ligand IDBLA
InChIInChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-
InChIKeyGWZYPXHJIZCRAJ-SRVCBVSDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C=C)C)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O
OpenEye OEToolkits 1.5.0Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C=C)C)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O
CACTVS 3.341Cc1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C=C)C)C(=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=C4C)C=C
CACTVS 3.341Cc1c([nH]c(\C=C2/N=C(\C=C3/NC(=O)C(=C3C=C)C)C(=C2CCC(O)=O)C)c1CCC(O)=O)\C=C4/NC(=O)C(=C4C)C=C
FormulaC33 H34 N4 O6
NameBILIVERDINE IX ALPHA
ChEMBL
DrugBank
ZINCZINC000103534374
PDB chain5b3v Chain A Residue 403 [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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PDB5b3v A substrate-bound structure of cyanobacterial biliverdin reductase identifies stacked substrates as critical for activity
Resolution2.594 Å
Binding residue
(original residue number in PDB)		M159 Q161 T169 R185 K237 R246
Binding residue
(residue number reindexed from 1)		M151 Q153 T161 R177 K229 R238
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E101 Y102 E128 E131 S184 R185
Catalytic site (residue number reindexed from 1) E93 Y94 E120 E123 S176 R177
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding

View graph for
Molecular Function
External links
PDB RCSB:5b3v, PDBe:5b3v, PDBj:5b3v
PDBsum5b3v
PubMed28169272
UniProtP72782

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