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Receptor Information

>2dld Chain B (length=337) Species: 1587 (Lactobacillus helveticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MTKVFAYAIRKDEEPFLNEWKEAHKDIDVDYTDKLLTPETAKLAKGADGV
VVYQQLDYTADTLQALADAGVTKMSLRNVGVDNIDMDKAKELGFQITNVP
VYSPNAIAEHAAIQAARVLRQDKRMDEKMAKRDLRWAPTIGREVRDQVVG
VVGTGHIGQVFMRIMEGFGAKVIAYDIFKNPELEKKGYYVDSLDDLYKQA
DVISLHVPDVPANVHMINDKSIAEMKDGVVIVNCSRGRLVDTDAVIRGLD
SGKIFGFVMDTYEDEVGVFNKDWEGKEFPDKRLADLIDRPNVLVTPHTAF
YTTHAVRNMVVKAFNNNLKLINGEKPDSPVALNKNKF

Ligand ID

NAI

InChI

InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

InChIKey

BOPGDPNILDQYTO-NNYOXOHSSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N
CACTVS 3.341	NC(=O)C1=CN(C=CC1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N
CACTVS 3.341	NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O

Formula

C21 H29 N7 O14 P2

Name

1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE;
NADH

PDB chain

2dld Chain B 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	2dld Dehydrogenases Engineering to Correct Substrate Inhibition in a Commercial Dehydrogenase
Resolution	2.7 Å
Binding residue (original residue number in PDB)	T154 G155 H156 I157 D176 I177 V207 P208 N213 C234 S235 R236 D260 H297
Binding residue (residue number reindexed from 1)	T154 G155 H156 I157 D176 I177 V207 P208 N213 C234 S235 R236 D260 H297
Annotation score	4

Catalytic site (original residue number in PDB)	S103 R236 D260 E265 H297
Catalytic site (residue number reindexed from 1)	S103 R236 D260 E265 H297
Enzyme Commision number	1.1.1.28: D-lactate dehydrogenase.

	Molecular Function
GO:0008720	D-lactate dehydrogenase activity
GO:0016491	oxidoreductase activity
GO:0016614	oxidoreductase activity, acting on CH-OH group of donors
GO:0016616	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0051287	NAD binding

PDB	RCSB:2dld, PDBe:2dld, PDBj:2dld
PDBsum	2dld
PubMed
UniProt	P30901\|LDHD_LACHE D-lactate dehydrogenase

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Structure of PDB 2dld Chain B Binding Site BS01