Structure of PDB 2z6c Chain B Binding Site BS01

Receptor Information

>2z6c Chain B (length=121) Species: 3702 (Arabidopsis thaliana)

VSEDLKDALSTFQQTFVVSDATKPDYPIMYASAGFFNMTGYTSKEVVGRN
CRFLQGSGTDADELAKIRETLAAGNNYCGRILNYKKDGTSFWNLLTIAPI
KDESGKVLKFIGMQVEVSKHT

Ligand information

• Ligand ID: FMN
• InChI: InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
• InChIKey: FVTCRASFADXXNN-SCRDCRAPSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
  OpenEye OEToolkits 1.7.6: Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
  ACDLabs 12.01: N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
  CACTVS 3.385: Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
  CACTVS 3.385: Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
• Formula: C17 H21 N4 O9 P
• Name: FLAVIN MONONUCLEOTIDE;
  RIBOFLAVIN MONOPHOSPHATE
• ChEMBL: CHEMBL1201794
• DrugBank: DB03247
• ZINC: ZINC000003831425
• PDB chain: 2z6c Chain B Residue 500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2z6c Structural basis of the LOV1 dimerization of Arabidopsis phototropins 1 and 2
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): S202 N233 C234 R235 Q238 R251 L254 I264 N266 N276 L278 I280 F293 G295 Q297
• Binding residue (residue number reindexed from 1): S19 N50 C51 R52 Q55 R68 L71 I81 N83 N93 L95 I97 F110 G112 Q114
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.11.1: non-specific serine/threonine protein kinase.

External links

• PDB: RCSB:2z6c, PDBe:2z6c, PDBj:2z6c
• PDBsum: 2z6c
• PubMed: 18585389
• UniProt: O48963|PHOT1_ARATH Phototropin-1 (Gene Name=PHOT1)