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Receptor Information

>8i34 Chain F (length=175) Species: 34490 (Haliclona sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

APTCTDIPETWNGMVFENLIRDGKKSVRRSNTSYDKGSESIKSVDIKSTG
GPLRTELLLYKTKTRYVVVNGNCTKSTLEGDFPNFGVAAGSSSAGATYLG
SSMPNLGLLVNLFYGTDERKRYFFNEYAPIGSGSTCIPVMVTYATLEPLE
LGYLQYGNITTTLPTDAFSVPPECN

Ligand ID

AXT

InChI

InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1

InChIKey

MQZIGYBFDRPAKN-UWFIBFSHSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1=C(C(CC(C1=O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C
CACTVS 3.341	CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C(=O)[CH](O)CC2(C)C
CACTVS 3.341	CC(=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C
ACDLabs 10.04	O=C2C(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C(=O)C(O)CC1(C)C)C)C)C)C)C)C(C)(C)CC2O)C
OpenEye OEToolkits 1.5.0	CC1=C(C(C[C@@H](C1=O)O)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C(=O)[C@H](CC2(C)C)O)C)\C)\C

Formula

C40 H52 O4

Name

ASTAXANTHIN;
3,3'-DIHYDROXY-BETA,BETA-CAROTENE-4,4'-DIONE

PDB chain

8i34 Chain F Residue 301 [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	8i34 An ependymin-related blue carotenoprotein decorates marine blue sponge.
Resolution	2.44 Å
Binding residue (original residue number in PDB)	F36 V47 R49 K67 F144 M160 T162 Y173 Q175
Binding residue (residue number reindexed from 1)	F16 V27 R29 K47 F124 M140 T142 Y153 Q155
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0005509	calcium ion binding

	Biological Process
GO:0007160	cell-matrix adhesion

	Cellular Component
GO:0005576	extracellular region

PDB	RCSB:8i34, PDBe:8i34, PDBj:8i34
PDBsum	8i34
PubMed	37517696
UniProt	A0AA52HX50

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Structure of PDB 8i34 Chain F Binding Site BS02