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Receptor Information

>4rje Chain D (length=365) Species: 1377 (Aerococcus viridans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

YNAPSEIKYIDVVNTYDLEEEASKVVPHGGFNYIAGASGDEWTKRANDRA
WKHKLLYPRLAQDVEAPDTSTEILGHKIKAPFIMAPIGAHGLAHATKEAG
TARAVSEFGTIMSISAYSGATFEEISEGLNGGPRWFQIYMAKDDQQNRDI
LDEAKGDGATAIILTADSTVSGNRDRDVKNKFVYPFGMPIVQRYLTAEGM
SLNNIYGASKQKISPRDIEEIAAHSGLPVFVKGIQHPEDADMAIKAGASG
IWVSNHGARQLYEAPGSFDTLPAIAERVNKRVPIVFDSGVRRGEHVAKAL
ASGADVVALGRPVLFGLALGGWQGAYSVLDYFQKDLTRVMQLTGSQNVED
LKGLDLFDNPYGYEY

Ligand ID

FNR

InChI

InChI=1S/C17H23N4O9P/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/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H2,19,20,25,26)/t11-,12+,14-/m0/s1

InChIKey

YTNIXZGTHTVJBW-SCRDCRAPSA-N

SMILES

Software	SMILES
CACTVS 3.385	Cc1cc2NC3=C(NC(=O)NC3=O)N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
OpenEye OEToolkits 1.7.6	Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6	Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
CACTVS 3.385	Cc1cc2NC3=C(NC(=O)NC3=O)N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
ACDLabs 12.01	c23N(C=1NC(=O)NC(=O)C=1Nc2cc(C)c(C)c3)CC(O)C(O)C(O)COP(O)(=O)O

Formula

C17 H23 N4 O9 P

Name

1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL;
TWO ELECTRON REDUCED FLAVIN MONONUCLEOTIDE

ChEMBL

DrugBank

ZINC

PDB chain

4rje Chain D Residue 401 [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	4rje The Ala95-to-Gly substitution in Aerococcus viridans l-lactate oxidase revisited - structural consequences at the catalytic site and effect on reactivity with O2 and other electron acceptors.
Resolution	1.65 Å
Binding residue (original residue number in PDB)	P93 I94 G95 S122 Q144 Y146 T172 K241 H265 R268 D296 S297 G298 R300 G319 R320
Binding residue (residue number reindexed from 1)	P86 I87 G88 S115 Q137 Y139 T165 K232 H256 R259 D287 S288 G289 R291 G310 R311
Annotation score	1

Catalytic site (original residue number in PDB)	S122 Y146 T172 D174 K241 H265
Catalytic site (residue number reindexed from 1)	S115 Y139 T165 D167 K232 H256
Enzyme Commision number	1.1.3.-

	Molecular Function
GO:0000166	nucleotide binding
GO:0004459	L-lactate dehydrogenase activity
GO:0010181	FMN binding
GO:0016491	oxidoreductase activity
GO:0046872	metal ion binding

PDB	RCSB:4rje, PDBe:4rje, PDBj:4rje
PDBsum	4rje
PubMed	25423902
UniProt	Q44467\|LOX_AERVM L-lactate oxidase

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Structure of PDB 4rje Chain D Binding Site BS01