Structure of PDB 1b8d Chain B Binding Site BS03

Receptor Information
>1b8d Chain B (length=177) Species: 42003 (Griffithsia monilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLDAFSRVVVTSDAKAAYVGGSDLQSLKSFINDGNKRLDAVNYIVSNASC
IVSDAVSGMICENPGLIAPGGNCYTNRRMAACLRDGEIILRYVSYALLAG
DSSVLDDRCLNGLKETYIALGVPTASSSRAVSIMKATATAFITNTASGRK
VEVAAGDCQALQAEAASYFDKVGSSID
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 chain1b8d Chain B Residue 205 [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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PDB1b8d Crystal structure of a phycourobilin-containing phycoerythrin at 1.90-A resolution.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		C50 D54 S57 G58 C61 R129 I133 A136 T137 S147 G148
Binding residue
(residue number reindexed from 1)		C50 D54 S57 G58 C61 R129 I133 A136 T137 S147 G148
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:1b8d, PDBe:1b8d, PDBj:1b8d
PDBsum1b8d
PubMed10388620
UniProtO36004|PHEB_GRIMO R-phycoerythrin beta chain (Gene Name=cpeB)

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