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Structure of PDB 5b3v Chain D Binding Site BS02

Receptor Information
>5b3v Chain D (length=316) 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
LYALEVADLCAQACGY
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 D Residue 402 [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)		Y20 Y102 I130 R185 R188
Binding residue
(residue number reindexed from 1)		Y12 Y94 I122 R177 R180
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

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