Structure of PDB 1lia Chain B Binding Site BS01

Receptor Information
>1lia Chain B (length=177) Species: 65404 (Polysiphonia urceolata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLDAFSRVVVNSDSKAAYVSGSDLQALKTFINDGNKRLDAVNYIVSNSSC
IVSDAISGMICENPGLITPGGNCYTNRRMAACLRDGEIILRYVSYALLAG
DASVLEDRCLNGLKETYIALGVPTNSTVRAVSIMKAAAVCFISNTASQRK
VEVIEGDCSALASEVASYCDRVVAAVS
Ligand information
Ligand IDPUB
InChIInChI=1S/C33H42N4O6/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/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t26-,27+/m1/s1
InChIKeyKDCCOOGTVSRCHX-YYVBKQGDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C[CH]4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
OpenEye OEToolkits 1.5.0CCC1=C(C(=O)NC1Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C
OpenEye OEToolkits 1.5.0CCC1=C(C(=O)N[C@H]1Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C
CACTVS 3.341CCC1=C(C)C(=O)N[C@H]1Cc2[nH]c(\C=C3/N=C(C[C@H]4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
FormulaC33 H42 N4 O6
NamePHYCOUROBILIN
ChEMBL
DrugBank
ZINCZINC000040164449
PDB chain1lia Chain B Residue 177 [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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PDB1lia Crystal structure of R-phycoerythrin from Polysiphonia urceolata at 2.8 A resolution.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		C50 D54 S57 G58 C61 I135 A138 A139 C142 F143 S148A Q148B
Binding residue
(residue number reindexed from 1)		C50 D54 S57 G58 C61 I133 A136 A137 C140 F141 S147 Q148
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0009507 chloroplast
GO:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0016020 membrane
GO:0030089 phycobilisome

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1lia, PDBe:1lia, PDBj:1lia
PDBsum1lia
PubMed8876649
UniProtP84862|PHEB_POLUR R-phycoerythrin beta chain (Gene Name=cpeB)

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