Structure of PDB 1lld Chain A Binding Site BS01

Receptor Information
>1lld Chain A (length=313) Species: 1679 (Bifidobacterium longum subsp. longum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTKLAVIGAGAVGSTLAFAAAQRGIAREIVLEDIAKERVEAEVLDMQHGS
SFYPTVSIDGSDDPEICRDADMVVITAGPRQKPGQSRLELVGATVNILKA
IMPNLVKVAPNAIYMLITNPVDIATHVAQKLTGLPENQIFGSGTNLDSAR
LRFLIAQQTGVNVKNVHAYIAGEHGDSEVPLWESATIGGVPMSDWTPLPG
HDPLDADKREEIHQEVKNAAYKIINGKGATNYAIGMSGVDIIEAVLHDTN
RILPVSSMLKDFHGISDICMSVPTLLNRQGVNNTINTPVSDKELAALKRS
AETLKETAAQFGF
Ligand information
Ligand IDNAD
InChIInChI=1S/C21H27N7O14P2/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/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)c1ccc[n+](c1)[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 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[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
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
FormulaC21 H27 N7 O14 P2
NameNICOTINAMIDE-ADENINE-DINUCLEOTIDE
ChEMBLCHEMBL1234613
DrugBankDB14128
ZINC
PDB chain1lld Chain A Residue 320 [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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PDB1lld Molecular basis of allosteric activation of bacterial L-lactate dehydrogenase.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G16 A17 V18 D39 I40 R44 T82 A83 I107 N125 H180 I230 I240
Binding residue
(residue number reindexed from 1)		G10 A11 V12 D33 I34 R38 T76 A77 I101 N119 H174 I224 I234
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R93 D153 R156 H180
Catalytic site (residue number reindexed from 1) R87 D147 R150 H174
Enzyme Commision number 1.1.1.27: L-lactate dehydrogenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004459 L-lactate dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
Biological Process
GO:0006089 lactate metabolic process
GO:0006090 pyruvate metabolic process
GO:0006096 glycolytic process
GO:0019752 carboxylic acid metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1lld, PDBe:1lld, PDBj:1lld
PDBsum1lld
PubMed8450537
UniProtE8ME30|LDH2_BIFL2 L-lactate dehydrogenase 2 (Gene Name=ldh2)

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