6BB2
Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004457 | molecular_function | lactate dehydrogenase activity |
| A | 0004459 | molecular_function | L-lactate dehydrogenase (NAD+) activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005634 | cellular_component | nucleus |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005829 | cellular_component | cytosol |
| A | 0006089 | biological_process | lactate metabolic process |
| A | 0006096 | biological_process | glycolytic process |
| A | 0016020 | cellular_component | membrane |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| A | 0019752 | biological_process | carboxylic acid metabolic process |
| A | 0035686 | cellular_component | sperm fibrous sheath |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0042867 | biological_process | pyruvate catabolic process |
| A | 0045296 | molecular_function | cadherin binding |
| A | 0070062 | cellular_component | extracellular exosome |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004457 | molecular_function | lactate dehydrogenase activity |
| B | 0004459 | molecular_function | L-lactate dehydrogenase (NAD+) activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005634 | cellular_component | nucleus |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005829 | cellular_component | cytosol |
| B | 0006089 | biological_process | lactate metabolic process |
| B | 0006096 | biological_process | glycolytic process |
| B | 0016020 | cellular_component | membrane |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| B | 0019752 | biological_process | carboxylic acid metabolic process |
| B | 0035686 | cellular_component | sperm fibrous sheath |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0042867 | biological_process | pyruvate catabolic process |
| B | 0045296 | molecular_function | cadherin binding |
| B | 0070062 | cellular_component | extracellular exosome |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0004457 | molecular_function | lactate dehydrogenase activity |
| C | 0004459 | molecular_function | L-lactate dehydrogenase (NAD+) activity |
| C | 0005515 | molecular_function | protein binding |
| C | 0005634 | cellular_component | nucleus |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005739 | cellular_component | mitochondrion |
| C | 0005829 | cellular_component | cytosol |
| C | 0006089 | biological_process | lactate metabolic process |
| C | 0006096 | biological_process | glycolytic process |
| C | 0016020 | cellular_component | membrane |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| C | 0019752 | biological_process | carboxylic acid metabolic process |
| C | 0035686 | cellular_component | sperm fibrous sheath |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0042867 | biological_process | pyruvate catabolic process |
| C | 0045296 | molecular_function | cadherin binding |
| C | 0070062 | cellular_component | extracellular exosome |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0004457 | molecular_function | lactate dehydrogenase activity |
| D | 0004459 | molecular_function | L-lactate dehydrogenase (NAD+) activity |
| D | 0005515 | molecular_function | protein binding |
| D | 0005634 | cellular_component | nucleus |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005739 | cellular_component | mitochondrion |
| D | 0005829 | cellular_component | cytosol |
| D | 0006089 | biological_process | lactate metabolic process |
| D | 0006096 | biological_process | glycolytic process |
| D | 0016020 | cellular_component | membrane |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| D | 0019752 | biological_process | carboxylic acid metabolic process |
| D | 0035686 | cellular_component | sperm fibrous sheath |
| D | 0042802 | molecular_function | identical protein binding |
| D | 0042867 | biological_process | pyruvate catabolic process |
| D | 0045296 | molecular_function | cadherin binding |
| D | 0070062 | cellular_component | extracellular exosome |
| E | 0003824 | molecular_function | catalytic activity |
| E | 0004457 | molecular_function | lactate dehydrogenase activity |
| E | 0004459 | molecular_function | L-lactate dehydrogenase (NAD+) activity |
| E | 0005515 | molecular_function | protein binding |
| E | 0005634 | cellular_component | nucleus |
| E | 0005737 | cellular_component | cytoplasm |
| E | 0005739 | cellular_component | mitochondrion |
| E | 0005829 | cellular_component | cytosol |
| E | 0006089 | biological_process | lactate metabolic process |
| E | 0006096 | biological_process | glycolytic process |
| E | 0016020 | cellular_component | membrane |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| E | 0019752 | biological_process | carboxylic acid metabolic process |
| E | 0035686 | cellular_component | sperm fibrous sheath |
| E | 0042802 | molecular_function | identical protein binding |
| E | 0042867 | biological_process | pyruvate catabolic process |
| E | 0045296 | molecular_function | cadherin binding |
| E | 0070062 | cellular_component | extracellular exosome |
| F | 0003824 | molecular_function | catalytic activity |
| F | 0004457 | molecular_function | lactate dehydrogenase activity |
| F | 0004459 | molecular_function | L-lactate dehydrogenase (NAD+) activity |
| F | 0005515 | molecular_function | protein binding |
| F | 0005634 | cellular_component | nucleus |
| F | 0005737 | cellular_component | cytoplasm |
| F | 0005739 | cellular_component | mitochondrion |
| F | 0005829 | cellular_component | cytosol |
| F | 0006089 | biological_process | lactate metabolic process |
| F | 0006096 | biological_process | glycolytic process |
| F | 0016020 | cellular_component | membrane |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| F | 0019752 | biological_process | carboxylic acid metabolic process |
| F | 0035686 | cellular_component | sperm fibrous sheath |
| F | 0042802 | molecular_function | identical protein binding |
| F | 0042867 | biological_process | pyruvate catabolic process |
| F | 0045296 | molecular_function | cadherin binding |
| F | 0070062 | cellular_component | extracellular exosome |
| G | 0003824 | molecular_function | catalytic activity |
| G | 0004457 | molecular_function | lactate dehydrogenase activity |
| G | 0004459 | molecular_function | L-lactate dehydrogenase (NAD+) activity |
| G | 0005515 | molecular_function | protein binding |
| G | 0005634 | cellular_component | nucleus |
| G | 0005737 | cellular_component | cytoplasm |
| G | 0005739 | cellular_component | mitochondrion |
| G | 0005829 | cellular_component | cytosol |
| G | 0006089 | biological_process | lactate metabolic process |
| G | 0006096 | biological_process | glycolytic process |
| G | 0016020 | cellular_component | membrane |
| G | 0016491 | molecular_function | oxidoreductase activity |
| G | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| G | 0019752 | biological_process | carboxylic acid metabolic process |
| G | 0035686 | cellular_component | sperm fibrous sheath |
| G | 0042802 | molecular_function | identical protein binding |
| G | 0042867 | biological_process | pyruvate catabolic process |
| G | 0045296 | molecular_function | cadherin binding |
| G | 0070062 | cellular_component | extracellular exosome |
| H | 0003824 | molecular_function | catalytic activity |
| H | 0004457 | molecular_function | lactate dehydrogenase activity |
| H | 0004459 | molecular_function | L-lactate dehydrogenase (NAD+) activity |
| H | 0005515 | molecular_function | protein binding |
| H | 0005634 | cellular_component | nucleus |
| H | 0005737 | cellular_component | cytoplasm |
| H | 0005739 | cellular_component | mitochondrion |
| H | 0005829 | cellular_component | cytosol |
| H | 0006089 | biological_process | lactate metabolic process |
| H | 0006096 | biological_process | glycolytic process |
| H | 0016020 | cellular_component | membrane |
| H | 0016491 | molecular_function | oxidoreductase activity |
| H | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| H | 0019752 | biological_process | carboxylic acid metabolic process |
| H | 0035686 | cellular_component | sperm fibrous sheath |
| H | 0042802 | molecular_function | identical protein binding |
| H | 0042867 | biological_process | pyruvate catabolic process |
| H | 0045296 | molecular_function | cadherin binding |
| H | 0070062 | cellular_component | extracellular exosome |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 29 |
| Details | binding site for residue NAD A 801 |
| Chain | Residue |
| A | GLY28 |
| A | GLY96 |
| A | ALA97 |
| A | ARG98 |
| A | ILE119 |
| A | VAL135 |
| A | SER136 |
| A | ASN137 |
| A | SER160 |
| A | LEU164 |
| A | HIS192 |
| A | ALA29 |
| A | THR247 |
| A | ILE251 |
| A | LAC803 |
| A | HOH901 |
| A | HOH904 |
| A | HOH915 |
| A | HOH916 |
| A | HOH918 |
| A | HOH926 |
| A | HOH939 |
| A | VAL30 |
| A | ASP51 |
| A | VAL52 |
| A | ILE53 |
| A | LYS56 |
| A | THR94 |
| A | ALA95 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 A 802 |
| Chain | Residue |
| A | ARG170 |
| A | HIS185 |
| A | HOH931 |
| C | LEU182 |
| C | HIS185 |
| C | HOH926 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | binding site for residue LAC A 803 |
| Chain | Residue |
| A | GLN99 |
| A | ARG105 |
| A | ASN137 |
| A | ARG168 |
| A | HIS192 |
| A | ALA237 |
| A | THR247 |
| A | NAD801 |
| site_id | AC4 |
| Number of Residues | 30 |
| Details | binding site for residue NAD B 801 |
| Chain | Residue |
| B | GLY28 |
| B | ALA29 |
| B | VAL30 |
| B | ASP51 |
| B | VAL52 |
| B | ILE53 |
| B | LYS56 |
| B | THR94 |
| B | ALA95 |
| B | GLY96 |
| B | ALA97 |
| B | ARG98 |
| B | ASN112 |
| B | ILE119 |
| B | VAL135 |
| B | SER136 |
| B | ASN137 |
| B | SER160 |
| B | LEU164 |
| B | HIS192 |
| B | THR247 |
| B | ILE251 |
| B | LAC803 |
| B | HOH903 |
| B | HOH907 |
| B | HOH910 |
| B | HOH940 |
| B | HOH942 |
| B | HOH949 |
| F | ASN107 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 B 802 |
| Chain | Residue |
| A | LEU69 |
| B | ASN163 |
| B | SER166 |
| B | ARG170 |
| B | PRO271 |
| D | SO4803 |
| site_id | AC6 |
| Number of Residues | 9 |
| Details | binding site for residue LAC B 803 |
| Chain | Residue |
| B | GLN99 |
| B | ARG105 |
| B | ASN137 |
| B | LEU164 |
| B | ARG168 |
| B | HIS192 |
| B | ALA237 |
| B | THR247 |
| B | NAD801 |
| site_id | AC7 |
| Number of Residues | 27 |
| Details | binding site for residue NAD C 801 |
| Chain | Residue |
| C | ARG98 |
| C | ILE119 |
| C | VAL135 |
| C | SER136 |
| C | ASN137 |
| C | SER160 |
| C | LEU164 |
| C | HIS192 |
| C | THR247 |
| C | ILE251 |
| C | LAC802 |
| C | HOH902 |
| C | HOH908 |
| C | HOH909 |
| C | HOH949 |
| H | ASN107 |
| C | GLY28 |
| C | ALA29 |
| C | VAL30 |
| C | ASP51 |
| C | VAL52 |
| C | ILE53 |
| C | LYS56 |
| C | THR94 |
| C | ALA95 |
| C | GLY96 |
| C | ALA97 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | binding site for residue LAC C 802 |
| Chain | Residue |
| C | GLN99 |
| C | ARG105 |
| C | ASN137 |
| C | ARG168 |
| C | HIS192 |
| C | ALA237 |
| C | THR247 |
| C | NAD801 |
| site_id | AC9 |
| Number of Residues | 26 |
| Details | binding site for residue NAD D 801 |
| Chain | Residue |
| D | GLY28 |
| D | ALA29 |
| D | VAL30 |
| D | ASP51 |
| D | VAL52 |
| D | ILE53 |
| D | LYS56 |
| D | THR94 |
| D | ALA95 |
| D | GLY96 |
| D | ARG98 |
| D | ILE119 |
| D | VAL135 |
| D | SER136 |
| D | ASN137 |
| D | SER160 |
| D | LEU164 |
| D | HIS192 |
| D | THR247 |
| D | ILE251 |
| D | HOH903 |
| D | HOH916 |
| D | HOH925 |
| D | HOH934 |
| D | HOH949 |
| D | HOH952 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 D 802 |
| Chain | Residue |
| B | HIS185 |
| B | HOH929 |
| D | ARG170 |
| D | HIS185 |
| D | HOH922 |
| site_id | AD2 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 D 803 |
| Chain | Residue |
| B | ARG170 |
| B | HIS185 |
| B | SO4802 |
| D | LEU182 |
| D | HIS185 |
| D | HOH955 |
| site_id | AD3 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 D 804 |
| Chain | Residue |
| D | TRP147 |
| D | LYS154 |
| site_id | AD4 |
| Number of Residues | 10 |
| Details | binding site for residue D4J D 805 |
| Chain | Residue |
| D | ASN137 |
| D | ASP165 |
| D | ARG168 |
| D | HIS192 |
| D | GLY193 |
| D | VAL234 |
| D | ALA237 |
| D | TYR238 |
| D | ILE241 |
| D | THR247 |
| site_id | AD5 |
| Number of Residues | 27 |
| Details | binding site for residue NAD E 801 |
| Chain | Residue |
| E | GLY28 |
| E | ALA29 |
| E | VAL30 |
| E | ASP51 |
| E | VAL52 |
| E | ILE53 |
| E | THR94 |
| E | ALA95 |
| E | GLY96 |
| E | ARG98 |
| E | ILE115 |
| E | ILE119 |
| E | VAL135 |
| E | SER136 |
| E | ASN137 |
| E | SER160 |
| E | LEU164 |
| E | HIS192 |
| E | THR247 |
| E | ILE251 |
| E | HOH904 |
| E | HOH907 |
| E | HOH915 |
| E | HOH916 |
| E | HOH917 |
| E | HOH936 |
| E | HOH941 |
| site_id | AD6 |
| Number of Residues | 10 |
| Details | binding site for residue D4J E 802 |
| Chain | Residue |
| E | ASN137 |
| E | ASP165 |
| E | ARG168 |
| E | HIS192 |
| E | GLY193 |
| E | VAL233 |
| E | VAL234 |
| E | ALA237 |
| E | ILE241 |
| E | THR247 |
| site_id | AD7 |
| Number of Residues | 26 |
| Details | binding site for residue NAD F 801 |
| Chain | Residue |
| F | GLY28 |
| F | ALA29 |
| F | VAL30 |
| F | ASP51 |
| F | VAL52 |
| F | ILE53 |
| F | THR94 |
| F | ALA95 |
| F | GLY96 |
| F | ALA97 |
| F | ARG98 |
| F | ASN112 |
| F | ILE119 |
| F | VAL135 |
| F | SER136 |
| F | ASN137 |
| F | SER160 |
| F | LEU164 |
| F | HIS192 |
| F | THR247 |
| F | ILE251 |
| F | LAC803 |
| F | HOH901 |
| F | HOH907 |
| F | HOH922 |
| F | HOH930 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 F 802 |
| Chain | Residue |
| F | ARG170 |
| F | HIS185 |
| F | HOH948 |
| H | HIS185 |
| site_id | AD9 |
| Number of Residues | 8 |
| Details | binding site for residue LAC F 803 |
| Chain | Residue |
| F | GLN99 |
| F | ARG105 |
| F | ASN137 |
| F | ARG168 |
| F | HIS192 |
| F | ALA237 |
| F | THR247 |
| F | NAD801 |
| site_id | AE1 |
| Number of Residues | 24 |
| Details | binding site for residue NAD G 801 |
| Chain | Residue |
| D | GLN330 |
| G | GLY28 |
| G | ALA29 |
| G | VAL30 |
| G | ASP51 |
| G | VAL52 |
| G | ILE53 |
| G | THR94 |
| G | ALA95 |
| G | GLY96 |
| G | ARG98 |
| G | ILE119 |
| G | VAL135 |
| G | SER136 |
| G | ASN137 |
| G | SER160 |
| G | LEU164 |
| G | HIS192 |
| G | THR247 |
| G | ILE251 |
| G | HOH908 |
| G | HOH912 |
| G | HOH948 |
| G | HOH952 |
| site_id | AE2 |
| Number of Residues | 9 |
| Details | binding site for residue D4J G 802 |
| Chain | Residue |
| G | ASN137 |
| G | ASP165 |
| G | ARG168 |
| G | HIS192 |
| G | GLY193 |
| G | VAL234 |
| G | ALA237 |
| G | ILE241 |
| G | THR247 |
| site_id | AE3 |
| Number of Residues | 24 |
| Details | binding site for residue NAD H 801 |
| Chain | Residue |
| H | GLY28 |
| H | ALA29 |
| H | VAL30 |
| H | ASP51 |
| H | VAL52 |
| H | ILE53 |
| H | THR94 |
| H | ALA95 |
| H | GLY96 |
| H | ALA97 |
| H | ARG98 |
| H | ILE119 |
| H | VAL135 |
| H | SER136 |
| H | ASN137 |
| H | SER160 |
| H | LEU164 |
| H | HIS192 |
| H | THR247 |
| H | ILE251 |
| H | LAC802 |
| H | HOH902 |
| H | HOH907 |
| H | HOH932 |
| site_id | AE4 |
| Number of Residues | 9 |
| Details | binding site for residue LAC H 802 |
| Chain | Residue |
| H | GLN99 |
| H | ARG105 |
| H | ASN137 |
| H | LEU164 |
| H | ARG168 |
| H | HIS192 |
| H | ALA237 |
| H | THR247 |
| H | NAD801 |
Functional Information from PROSITE/UniProt
| site_id | PS00064 |
| Number of Residues | 7 |
| Details | L_LDH L-lactate dehydrogenase active site. LGEHGDS |
| Chain | Residue | Details |
| A | LEU189-SER195 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | Active site: {"description":"Proton acceptor"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 232 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"11276087","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 30 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | Modified residue: {"description":"N-acetylalanine","evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"MAR-2005","submissionDatabase":"UniProtKB","authors":["Bienvenut W.V."]}},{"source":"PubMed","id":"19413330","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"22223895","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 24 |
| Details | Modified residue: {"description":"N6-succinyllysine; alternate","evidences":[{"source":"UniProtKB","id":"P06151","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 8 |
| Details | Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"19690332","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 23 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 8 |
| Details | Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 8 |
| Details | Modified residue: {"description":"N6-acetyllysine; alternate","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI10 |
| Number of Residues | 24 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"P06151","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI11 |
| Number of Residues | 8 |
| Details | Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"UniProtKB","id":"P06151","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI12 |
| Number of Residues | 15 |
| Details | Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"UniProtKB","id":"P04642","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI13 |
| Number of Residues | 7 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI14 |
| Number of Residues | 16 |
| Details | Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
