Structure of PDB 8q5f Chain B Binding Site BS01

Receptor Information

>8q5f Chain B (length=109) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDQD
IVSGATDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIG
VQLDGEFIP

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

Software	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

PDB chain

8q5f Chain B Residue 1001 [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	8q5f Fixing flavins: hijacking a flavin transferase for equipping flavoproteins with a covalent flavin cofactor
Resolution	2.0 Å
Binding residue (original residue number in PDB)	T8 N39 G40 R41 Q44 V53 T57 N72 N82 L84 L86 F99 G101
Binding residue (residue number reindexed from 1)	T7 N38 G39 R40 Q43 V52 T56 N71 N81 L83 L85 F98 G100
Annotation score	4

External links

PDB	RCSB:8q5f, PDBe:8q5f, PDBj:8q5f
PDBsum	8q5f
PubMed	38048072

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