6BB0
Lactate Dehydrogenase in complex with inhibitor (R)-3-((2-chlorophenyl)thio)-6-(3-((4-fluorophenyl)amino)phenyl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0003824 | molecular_function | catalytic activity |
A | 0004459 | molecular_function | L-lactate dehydrogenase 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 | 0006090 | biological_process | pyruvate 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 | 0042802 | molecular_function | identical protein binding |
A | 0045296 | molecular_function | cadherin binding |
A | 0070062 | cellular_component | extracellular exosome |
A | 1990204 | cellular_component | oxidoreductase complex |
B | 0003824 | molecular_function | catalytic activity |
B | 0004459 | molecular_function | L-lactate dehydrogenase 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 | 0006090 | biological_process | pyruvate 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 | 0042802 | molecular_function | identical protein binding |
B | 0045296 | molecular_function | cadherin binding |
B | 0070062 | cellular_component | extracellular exosome |
B | 1990204 | cellular_component | oxidoreductase complex |
C | 0003824 | molecular_function | catalytic activity |
C | 0004459 | molecular_function | L-lactate dehydrogenase 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 | 0006090 | biological_process | pyruvate 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 | 0042802 | molecular_function | identical protein binding |
C | 0045296 | molecular_function | cadherin binding |
C | 0070062 | cellular_component | extracellular exosome |
C | 1990204 | cellular_component | oxidoreductase complex |
D | 0003824 | molecular_function | catalytic activity |
D | 0004459 | molecular_function | L-lactate dehydrogenase 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 | 0006090 | biological_process | pyruvate 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 | 0042802 | molecular_function | identical protein binding |
D | 0045296 | molecular_function | cadherin binding |
D | 0070062 | cellular_component | extracellular exosome |
D | 1990204 | cellular_component | oxidoreductase complex |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 27 |
Details | binding site for residue NAD A 801 |
Chain | Residue |
A | GLY28 |
A | ILE115 |
A | ILE119 |
A | VAL135 |
A | SER136 |
A | ASN137 |
A | HIS192 |
A | THR247 |
A | ILE251 |
A | D3S804 |
A | HOH907 |
A | ALA29 |
A | HOH909 |
A | HOH922 |
A | HOH925 |
A | HOH973 |
A | HOH1003 |
A | HOH1009 |
A | HOH1046 |
A | HOH1051 |
A | VAL30 |
A | ASP51 |
A | VAL52 |
A | ILE53 |
A | THR94 |
A | ALA95 |
A | GLY96 |
site_id | AC2 |
Number of Residues | 5 |
Details | binding site for residue EPE A 802 |
Chain | Residue |
A | TRP147 |
A | GLY151 |
A | PHE152 |
A | PRO153 |
A | LYS154 |
site_id | AC3 |
Number of Residues | 6 |
Details | binding site for residue SO4 A 803 |
Chain | Residue |
A | ARG170 |
A | HIS185 |
A | HOH920 |
A | HOH970 |
A | HOH1007 |
C | HIS185 |
site_id | AC4 |
Number of Residues | 12 |
Details | binding site for residue D3S A 804 |
Chain | Residue |
A | ASN137 |
A | ASP165 |
A | ARG168 |
A | HIS192 |
A | GLY193 |
A | VAL233 |
A | ALA237 |
A | TYR238 |
A | ILE241 |
A | THR247 |
A | NAD801 |
A | HOH925 |
site_id | AC5 |
Number of Residues | 29 |
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 | ILE115 |
B | ILE119 |
B | VAL135 |
B | ASN137 |
B | SER160 |
B | LEU164 |
B | HIS192 |
B | THR247 |
B | ILE251 |
B | LAC804 |
B | HOH904 |
B | HOH920 |
B | HOH921 |
B | HOH936 |
B | HOH1008 |
B | HOH1018 |
B | HOH1034 |
site_id | AC6 |
Number of Residues | 5 |
Details | binding site for residue EPE B 802 |
Chain | Residue |
A | LYS283 |
B | TRP147 |
B | PHE152 |
B | PRO153 |
B | LYS154 |
site_id | AC7 |
Number of Residues | 9 |
Details | binding site for residue SO4 B 803 |
Chain | Residue |
B | ARG170 |
B | HIS185 |
B | HOH929 |
B | HOH966 |
B | HOH968 |
B | HOH1024 |
B | HOH1033 |
D | HIS185 |
D | HOH917 |
site_id | AC8 |
Number of Residues | 6 |
Details | binding site for residue LAC B 804 |
Chain | Residue |
B | ASN137 |
B | ARG168 |
B | HIS192 |
B | THR247 |
B | NAD801 |
B | HOH944 |
site_id | AC9 |
Number of Residues | 19 |
Details | binding site for residue NAD C 801 |
Chain | Residue |
C | GLY28 |
C | ALA29 |
C | VAL30 |
C | ASP51 |
C | VAL52 |
C | ILE53 |
C | THR94 |
C | ALA95 |
C | ILE115 |
C | VAL135 |
C | ASN137 |
C | HIS192 |
C | THR247 |
C | ILE251 |
C | D3S804 |
C | HOH904 |
C | HOH915 |
C | HOH972 |
C | HOH987 |
site_id | AD1 |
Number of Residues | 5 |
Details | binding site for residue EPE C 802 |
Chain | Residue |
C | TRP147 |
C | GLY151 |
C | PHE152 |
C | PRO153 |
C | LYS154 |
site_id | AD2 |
Number of Residues | 6 |
Details | binding site for residue SO4 C 803 |
Chain | Residue |
A | HIS185 |
C | ARG170 |
C | HIS185 |
C | HOH902 |
C | HOH951 |
C | HOH986 |
site_id | AD3 |
Number of Residues | 13 |
Details | binding site for residue D3S C 804 |
Chain | Residue |
C | ASN137 |
C | ASP165 |
C | ARG168 |
C | HIS192 |
C | GLY193 |
C | ASP194 |
C | ALA237 |
C | TYR238 |
C | ILE241 |
C | THR247 |
C | NAD801 |
C | HOH915 |
C | HOH1001 |
site_id | AD4 |
Number of Residues | 28 |
Details | binding site for residue NAD D 801 |
Chain | Residue |
D | GLY28 |
D | ALA29 |
D | VAL30 |
D | ASP51 |
D | VAL52 |
D | ILE53 |
D | THR94 |
D | ALA95 |
D | GLY96 |
D | ALA97 |
D | ARG98 |
D | ILE115 |
D | ILE119 |
D | VAL135 |
D | SER136 |
D | ASN137 |
D | HIS192 |
D | ILE251 |
D | D3S802 |
D | HOH944 |
D | HOH951 |
D | HOH965 |
D | HOH966 |
D | HOH967 |
D | HOH993 |
D | HOH1016 |
D | HOH1041 |
D | HOH1057 |
site_id | AD5 |
Number of Residues | 13 |
Details | binding site for residue D3S D 802 |
Chain | Residue |
D | ARG98 |
D | ASN137 |
D | ASP165 |
D | ARG168 |
D | HIS192 |
D | GLY193 |
D | ALA237 |
D | TYR238 |
D | ILE241 |
D | THR247 |
D | NAD801 |
D | HOH966 |
D | HOH997 |
site_id | AD6 |
Number of Residues | 8 |
Details | binding site for residue SO4 D 803 |
Chain | Residue |
B | HIS185 |
B | HOH926 |
D | ARG170 |
D | HIS185 |
D | HOH905 |
D | HOH931 |
D | HOH948 |
D | HOH1001 |
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 | 4 |
Details | ACT_SITE: Proton acceptor |
Chain | Residue | Details |
A | HIS192 | |
B | HIS192 | |
C | HIS192 | |
D | HIS192 |
site_id | SWS_FT_FI2 |
Number of Residues | 8 |
Details | BINDING: BINDING => ECO:0000269|PubMed:11276087 |
Chain | Residue | Details |
A | GLY28 | |
A | ARG98 | |
B | GLY28 | |
B | ARG98 | |
C | GLY28 | |
C | ARG98 | |
D | GLY28 | |
D | ARG98 |
site_id | SWS_FT_FI3 |
Number of Residues | 16 |
Details | BINDING: |
Chain | Residue | Details |
A | ARG105 | |
C | ASN137 | |
C | ARG168 | |
C | THR247 | |
D | ARG105 | |
D | ASN137 | |
D | ARG168 | |
D | THR247 | |
A | ASN137 | |
A | ARG168 | |
A | THR247 | |
B | ARG105 | |
B | ASN137 | |
B | ARG168 | |
B | THR247 | |
C | ARG105 |
site_id | SWS_FT_FI4 |
Number of Residues | 4 |
Details | MOD_RES: N-acetylalanine => ECO:0000269|Ref.10, ECO:0007744|PubMed:19413330, ECO:0007744|PubMed:22223895 |
Chain | Residue | Details |
A | ALA1 | |
B | ALA1 | |
C | ALA1 | |
D | ALA1 |
site_id | SWS_FT_FI5 |
Number of Residues | 12 |
Details | MOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:P06151 |
Chain | Residue | Details |
A | LYS4 | |
D | LYS4 | |
D | LYS117 | |
D | LYS317 | |
A | LYS117 | |
A | LYS317 | |
B | LYS4 | |
B | LYS117 | |
B | LYS317 | |
C | LYS4 | |
C | LYS117 | |
C | LYS317 |
site_id | SWS_FT_FI6 |
Number of Residues | 4 |
Details | MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:19690332 |
Chain | Residue | Details |
A | TYR9 | |
B | TYR9 | |
C | TYR9 | |
D | TYR9 |
site_id | SWS_FT_FI7 |
Number of Residues | 12 |
Details | MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861 |
Chain | Residue | Details |
A | LYS13 | |
D | LYS13 | |
D | LYS80 | |
D | LYS125 | |
A | LYS80 | |
A | LYS125 | |
B | LYS13 | |
B | LYS80 | |
B | LYS125 | |
C | LYS13 | |
C | LYS80 | |
C | LYS125 |
site_id | SWS_FT_FI8 |
Number of Residues | 4 |
Details | MOD_RES: Phosphothreonine => ECO:0007744|PubMed:23186163 |
Chain | Residue | Details |
A | THR17 | |
B | THR17 | |
C | THR17 | |
D | THR17 |
site_id | SWS_FT_FI9 |
Number of Residues | 4 |
Details | MOD_RES: N6-acetyllysine; alternate => ECO:0007744|PubMed:19608861 |
Chain | Residue | Details |
A | LYS56 | |
B | LYS56 | |
C | LYS56 | |
D | LYS56 |
site_id | SWS_FT_FI10 |
Number of Residues | 12 |
Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P06151 |
Chain | Residue | Details |
A | LYS223 | |
D | LYS223 | |
D | LYS231 | |
D | LYS242 | |
A | LYS231 | |
A | LYS242 | |
B | LYS223 | |
B | LYS231 | |
B | LYS242 | |
C | LYS223 | |
C | LYS231 | |
C | LYS242 |
site_id | SWS_FT_FI11 |
Number of Residues | 4 |
Details | MOD_RES: Phosphotyrosine => ECO:0000250|UniProtKB:P06151 |
Chain | Residue | Details |
A | TYR238 | |
B | TYR238 | |
C | TYR238 | |
D | TYR238 |
site_id | SWS_FT_FI12 |
Number of Residues | 8 |
Details | MOD_RES: Phosphothreonine => ECO:0000250|UniProtKB:P04642 |
Chain | Residue | Details |
A | THR308 | |
A | THR321 | |
B | THR308 | |
B | THR321 | |
C | THR308 | |
C | THR321 | |
D | THR308 | |
D | THR321 |
site_id | SWS_FT_FI13 |
Number of Residues | 4 |
Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569 |
Chain | Residue | Details |
A | SER309 | |
B | SER309 | |
C | SER309 | |
D | SER309 |
site_id | SWS_FT_FI14 |
Number of Residues | 8 |
Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:28112733 |
Chain | Residue | Details |
A | LYS56 | |
B | LYS56 | |
C | LYS56 | |
D | LYS56 |