Structure of PDB 7r3k Chain A Binding Site BS52

Receptor Information
>7r3k Chain A (length=740) Species: 3055 (Chlamydomonas reinhardtii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVKIAVDRNPVETSFEKWAKPGHFSRTLSKGPNTTTWIWNLHADAHDFDS
HTSDLEEISRKVFSAHFGQLGIIFIWLSGMYFHGARFSNYEAWLSDPTHI
KPSAQVVWPIVGQEILNGDVGGGFQGIQITSGFFQLWRASGITSELQLYT
TAIGGLVMAAAMFFAGWFHYHKAAPKLEWFQNVESMLNHHLGGLLGLGSL
AWAGHQIHVSLPVNKLLDAGVDPKEIPLPHDLLLNRAIMADLYPSFAKGI
APFFTLNWSEYSDFLTFKGGLNPVTGGLWLSDTAHHHVAIAVLFLVAGHM
YRTNWGIGHSMKEILEAHRGPFTGEGHVGLYEILTTSWHAQLAINLALFG
SLSIIVAHHMYAMPPYPYLATDYGTQLSLFTHHTWIGGFCIVGAGAHAAI
FMVRDYDPTNNYNNLLDRVIRHRDAIISHLNWVCIFLGFHSFGLYIHNDT
MSALGRPQDMFSDTAIQLQPVFAQWIQNTHFLAPQLTAPNALAATSLTWG
GDLVAVGGKVAMMPISLGTSDFMVHHIHAFTIHVTVLILLKGVLFARSSR
LIPDKANLGFRFPCDGPGRGGTCQVSAWDHVFLGLFWMYNSLSIVIFHFS
WKMQSDVWGTVTASGVSHITGGNFAQSANTINGWLRDFLWAQSSQVIQSY
GSALSAYGLIFLGAHFVWAFSLMFLFSGRGYWQELIESIVWAHNKLKVAP
AIQPRALSITQGRAVGVAHYLLGGIATTWSFFLARIISVG
Ligand information
Ligand IDC7Z
InChIInChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m0/s1
InChIKeyJKQXZKUSFCKOGQ-ANDPMPNWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
CACTVS 3.385CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C
CACTVS 3.385CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C)\C=C\C=C(C)\C=C\C2=C(C)C[C@H](O)CC2(C)C
OpenEye OEToolkits 2.0.6CC1=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/C2=C(C[C@@H](CC2(C)C)O)C)\C)\C)/C)/C
FormulaC40 H56 O2
Name
ChEMBL
DrugBank
ZINCZINC000086007157
PDB chain7r3k Chain J Residue 1902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7r3k Structure of Photosystem I Supercomplex Isolated from a Chlamydomonas reinhardtii Cytochrome b6f Temperature-Sensitive Mutant.
Resolution2.52 Å
Binding residue
(original residue number in PDB)		W119 I121
Binding residue
(residue number reindexed from 1)		W108 I110
Annotation score1
Enzymatic activity
Enzyme Commision number 1.97.1.12: photosystem I.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005515 protein binding
GO:0009055 electron transfer activity
GO:0016168 chlorophyll binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0015979 photosynthesis
Cellular Component
GO:0009507 chloroplast
GO:0009522 photosystem I
GO:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0016020 membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7r3k, PDBe:7r3k, PDBj:7r3k
PDBsum7r3k
PubMed36979472
UniProtP12154|PSAA_CHLRE Photosystem I P700 chlorophyll a apoprotein A1 (Gene Name=psaA)

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