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Receptor Information

>2biw Chain A (length=479) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QRSYSPQDWLRGYQSQPQEWDYWVEDVEGSIPPDLQGTLYRNGPGLLEIG
DRPLKHPFDGDGMVTAFKFPGDGRVHFQSKFVRTQGYVEEQKAGKMIYRG
VFGSQPAGGWLKTIFDLRLKNIANTNITYWGDRLLALWEGGQPHRLEPSN
LATIGLDDLGGILAEGQPLSAHPRIDPASTFDGGQPCYVTFSIKSSLSST
LTLLELDPQGKLLRQKTETFPGFAFIHDFAITPHYAIFLQNNVTLNGLPY
LFGLRGAGECVQFHPDKPAQIILVPRDGGEIKRIPVQAGFVFHHANAFEE
NGKIILDSICYNSLPQVDTDGDFRSTNFDNLDPGQLWRFTIDPAAATVEK
QLMVSRCCEFPVVHPQQVGRPYRYVYMGAAHHSTGNAPLQAILKVDLESG
TETLRSFAPHGFAGEPIFVPRPGGVAEDDGWLLCLIYKADLHRSELVILD
AQDITAPAIATLKLKHHIPYPLHGSWAQT

Ligand ID

3ON

InChI

InChI=1S/C30H42O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,28,31-32H,20-22H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12-,24-13-,25-16+,26-17+/t28-/m1/s1

InChIKey

FNAJVVMDXCOSFY-VFGOXHQXSA-N

SMILES

Software	SMILES
ACDLabs 10.04	OC1CC(=C(\C=C\C(=C\C=C\C(=C/C=C/C=C(\C=C\C=C(/C)CO)C)C)C)C(C)(C)C1)C
OpenEye OEToolkits 1.5.0	CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CO)C)C
CACTVS 3.341	C\C(CO)=C/C=C/C(C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C
OpenEye OEToolkits 1.5.0	CC1=C(C(C[C@@H](C1)O)(C)C)\C=C\C(=C\C=C\C(=C/C=C/C=C(/C)\C=C\C=C(/C)\CO)\C)\C
CACTVS 3.341	CC(CO)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C

Formula

C30 H42 O2

Name

(3R)-3-HYDROXY-8'-APOCAROTENOL;
(1R)-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E)-17-HYDROXY-3,7,12,16-TETRAMETHYLHEPTADECA-1,3,5,7,9,11,13,15-OCTAEN-1-YL]-3,5,5-TRIMETHYLCYCLOHEX-3-EN-1-OL

PDB chain

2biw Chain A Residue 1491 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	2biw The Structure of a Retinal-Forming Carotenoid Oxygenase
Resolution	2.39 Å
Binding residue (original residue number in PDB)	F69 F113 L130 W149 E150 G151 S206 F236 H238 F303 E370 L400
Binding residue (residue number reindexed from 1)	F58 F102 L119 W138 E139 G140 S195 F225 H227 F292 E359 L389
Annotation score	2

Enzyme Commision number

1.13.11.75: all-trans-8'-apo-beta-carotenal 15,15'-oxygenase.

	Molecular Function
GO:0010436	carotenoid dioxygenase activity
GO:0016702	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0046872	metal ion binding
GO:0051213	dioxygenase activity
GO:0102162	all-trans-8'-apo-beta-carotenal 15,15'-oxygenase activity

	Biological Process
GO:0016121	carotene catabolic process

PDB	RCSB:2biw, PDBe:2biw, PDBj:2biw
PDBsum	2biw
PubMed	15821095
UniProt	P74334\|ACOX_SYNY3 Apocarotenoid-15,15'-oxygenase (Gene Name=sll1541)

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Structure of PDB 2biw Chain A Binding Site BS01