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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
ChainGOidnamespacecontents
A0003824molecular_functioncatalytic activity
A0004459molecular_functionL-lactate dehydrogenase activity
A0005515molecular_functionprotein binding
A0005634cellular_componentnucleus
A0005737cellular_componentcytoplasm
A0005739cellular_componentmitochondrion
A0005829cellular_componentcytosol
A0006089biological_processlactate metabolic process
A0006090biological_processpyruvate metabolic process
A0006096biological_processglycolytic process
A0016020cellular_componentmembrane
A0016491molecular_functionoxidoreductase activity
A0016616molecular_functionoxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
A0019752biological_processcarboxylic acid metabolic process
A0042802molecular_functionidentical protein binding
A0045296molecular_functioncadherin binding
A0070062cellular_componentextracellular exosome
A1990204cellular_componentoxidoreductase complex
B0003824molecular_functioncatalytic activity
B0004459molecular_functionL-lactate dehydrogenase activity
B0005515molecular_functionprotein binding
B0005634cellular_componentnucleus
B0005737cellular_componentcytoplasm
B0005739cellular_componentmitochondrion
B0005829cellular_componentcytosol
B0006089biological_processlactate metabolic process
B0006090biological_processpyruvate metabolic process
B0006096biological_processglycolytic process
B0016020cellular_componentmembrane
B0016491molecular_functionoxidoreductase activity
B0016616molecular_functionoxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
B0019752biological_processcarboxylic acid metabolic process
B0042802molecular_functionidentical protein binding
B0045296molecular_functioncadherin binding
B0070062cellular_componentextracellular exosome
B1990204cellular_componentoxidoreductase complex
C0003824molecular_functioncatalytic activity
C0004459molecular_functionL-lactate dehydrogenase activity
C0005515molecular_functionprotein binding
C0005634cellular_componentnucleus
C0005737cellular_componentcytoplasm
C0005739cellular_componentmitochondrion
C0005829cellular_componentcytosol
C0006089biological_processlactate metabolic process
C0006090biological_processpyruvate metabolic process
C0006096biological_processglycolytic process
C0016020cellular_componentmembrane
C0016491molecular_functionoxidoreductase activity
C0016616molecular_functionoxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
C0019752biological_processcarboxylic acid metabolic process
C0042802molecular_functionidentical protein binding
C0045296molecular_functioncadherin binding
C0070062cellular_componentextracellular exosome
C1990204cellular_componentoxidoreductase complex
D0003824molecular_functioncatalytic activity
D0004459molecular_functionL-lactate dehydrogenase activity
D0005515molecular_functionprotein binding
D0005634cellular_componentnucleus
D0005737cellular_componentcytoplasm
D0005739cellular_componentmitochondrion
D0005829cellular_componentcytosol
D0006089biological_processlactate metabolic process
D0006090biological_processpyruvate metabolic process
D0006096biological_processglycolytic process
D0016020cellular_componentmembrane
D0016491molecular_functionoxidoreductase activity
D0016616molecular_functionoxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
D0019752biological_processcarboxylic acid metabolic process
D0042802molecular_functionidentical protein binding
D0045296molecular_functioncadherin binding
D0070062cellular_componentextracellular exosome
D1990204cellular_componentoxidoreductase complex
E0003824molecular_functioncatalytic activity
E0004459molecular_functionL-lactate dehydrogenase activity
E0005515molecular_functionprotein binding
E0005634cellular_componentnucleus
E0005737cellular_componentcytoplasm
E0005739cellular_componentmitochondrion
E0005829cellular_componentcytosol
E0006089biological_processlactate metabolic process
E0006090biological_processpyruvate metabolic process
E0006096biological_processglycolytic process
E0016020cellular_componentmembrane
E0016491molecular_functionoxidoreductase activity
E0016616molecular_functionoxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
E0019752biological_processcarboxylic acid metabolic process
E0042802molecular_functionidentical protein binding
E0045296molecular_functioncadherin binding
E0070062cellular_componentextracellular exosome
E1990204cellular_componentoxidoreductase complex
F0003824molecular_functioncatalytic activity
F0004459molecular_functionL-lactate dehydrogenase activity
F0005515molecular_functionprotein binding
F0005634cellular_componentnucleus
F0005737cellular_componentcytoplasm
F0005739cellular_componentmitochondrion
F0005829cellular_componentcytosol
F0006089biological_processlactate metabolic process
F0006090biological_processpyruvate metabolic process
F0006096biological_processglycolytic process
F0016020cellular_componentmembrane
F0016491molecular_functionoxidoreductase activity
F0016616molecular_functionoxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
F0019752biological_processcarboxylic acid metabolic process
F0042802molecular_functionidentical protein binding
F0045296molecular_functioncadherin binding
F0070062cellular_componentextracellular exosome
F1990204cellular_componentoxidoreductase complex
G0003824molecular_functioncatalytic activity
G0004459molecular_functionL-lactate dehydrogenase activity
G0005515molecular_functionprotein binding
G0005634cellular_componentnucleus
G0005737cellular_componentcytoplasm
G0005739cellular_componentmitochondrion
G0005829cellular_componentcytosol
G0006089biological_processlactate metabolic process
G0006090biological_processpyruvate metabolic process
G0006096biological_processglycolytic process
G0016020cellular_componentmembrane
G0016491molecular_functionoxidoreductase activity
G0016616molecular_functionoxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
G0019752biological_processcarboxylic acid metabolic process
G0042802molecular_functionidentical protein binding
G0045296molecular_functioncadherin binding
G0070062cellular_componentextracellular exosome
G1990204cellular_componentoxidoreductase complex
H0003824molecular_functioncatalytic activity
H0004459molecular_functionL-lactate dehydrogenase activity
H0005515molecular_functionprotein binding
H0005634cellular_componentnucleus
H0005737cellular_componentcytoplasm
H0005739cellular_componentmitochondrion
H0005829cellular_componentcytosol
H0006089biological_processlactate metabolic process
H0006090biological_processpyruvate metabolic process
H0006096biological_processglycolytic process
H0016020cellular_componentmembrane
H0016491molecular_functionoxidoreductase activity
H0016616molecular_functionoxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
H0019752biological_processcarboxylic acid metabolic process
H0042802molecular_functionidentical protein binding
H0045296molecular_functioncadherin binding
H0070062cellular_componentextracellular exosome
H1990204cellular_componentoxidoreductase complex
Functional Information from PDB Data
site_idAC1
Number of Residues29
Detailsbinding site for residue NAD A 801
ChainResidue
AGLY28
AGLY96
AALA97
AARG98
AILE119
AVAL135
ASER136
AASN137
ASER160
ALEU164
AHIS192
AALA29
ATHR247
AILE251
ALAC803
AHOH901
AHOH904
AHOH915
AHOH916
AHOH918
AHOH926
AHOH939
AVAL30
AASP51
AVAL52
AILE53
ALYS56
ATHR94
AALA95

site_idAC2
Number of Residues6
Detailsbinding site for residue SO4 A 802
ChainResidue
AARG170
AHIS185
AHOH931
CLEU182
CHIS185
CHOH926

site_idAC3
Number of Residues8
Detailsbinding site for residue LAC A 803
ChainResidue
AGLN99
AARG105
AASN137
AARG168
AHIS192
AALA237
ATHR247
ANAD801

site_idAC4
Number of Residues30
Detailsbinding site for residue NAD B 801
ChainResidue
BGLY28
BALA29
BVAL30
BASP51
BVAL52
BILE53
BLYS56
BTHR94
BALA95
BGLY96
BALA97
BARG98
BASN112
BILE119
BVAL135
BSER136
BASN137
BSER160
BLEU164
BHIS192
BTHR247
BILE251
BLAC803
BHOH903
BHOH907
BHOH910
BHOH940
BHOH942
BHOH949
FASN107

site_idAC5
Number of Residues6
Detailsbinding site for residue SO4 B 802
ChainResidue
ALEU69
BASN163
BSER166
BARG170
BPRO271
DSO4803

site_idAC6
Number of Residues9
Detailsbinding site for residue LAC B 803
ChainResidue
BGLN99
BARG105
BASN137
BLEU164
BARG168
BHIS192
BALA237
BTHR247
BNAD801

site_idAC7
Number of Residues27
Detailsbinding site for residue NAD C 801
ChainResidue
CARG98
CILE119
CVAL135
CSER136
CASN137
CSER160
CLEU164
CHIS192
CTHR247
CILE251
CLAC802
CHOH902
CHOH908
CHOH909
CHOH949
HASN107
CGLY28
CALA29
CVAL30
CASP51
CVAL52
CILE53
CLYS56
CTHR94
CALA95
CGLY96
CALA97

site_idAC8
Number of Residues8
Detailsbinding site for residue LAC C 802
ChainResidue
CGLN99
CARG105
CASN137
CARG168
CHIS192
CALA237
CTHR247
CNAD801

site_idAC9
Number of Residues26
Detailsbinding site for residue NAD D 801
ChainResidue
DGLY28
DALA29
DVAL30
DASP51
DVAL52
DILE53
DLYS56
DTHR94
DALA95
DGLY96
DARG98
DILE119
DVAL135
DSER136
DASN137
DSER160
DLEU164
DHIS192
DTHR247
DILE251
DHOH903
DHOH916
DHOH925
DHOH934
DHOH949
DHOH952

site_idAD1
Number of Residues5
Detailsbinding site for residue SO4 D 802
ChainResidue
BHIS185
BHOH929
DARG170
DHIS185
DHOH922

site_idAD2
Number of Residues6
Detailsbinding site for residue SO4 D 803
ChainResidue
BARG170
BHIS185
BSO4802
DLEU182
DHIS185
DHOH955

site_idAD3
Number of Residues2
Detailsbinding site for residue SO4 D 804
ChainResidue
DTRP147
DLYS154

site_idAD4
Number of Residues10
Detailsbinding site for residue D4J D 805
ChainResidue
DASN137
DASP165
DARG168
DHIS192
DGLY193
DVAL234
DALA237
DTYR238
DILE241
DTHR247

site_idAD5
Number of Residues27
Detailsbinding site for residue NAD E 801
ChainResidue
EGLY28
EALA29
EVAL30
EASP51
EVAL52
EILE53
ETHR94
EALA95
EGLY96
EARG98
EILE115
EILE119
EVAL135
ESER136
EASN137
ESER160
ELEU164
EHIS192
ETHR247
EILE251
EHOH904
EHOH907
EHOH915
EHOH916
EHOH917
EHOH936
EHOH941

site_idAD6
Number of Residues10
Detailsbinding site for residue D4J E 802
ChainResidue
EASN137
EASP165
EARG168
EHIS192
EGLY193
EVAL233
EVAL234
EALA237
EILE241
ETHR247

site_idAD7
Number of Residues26
Detailsbinding site for residue NAD F 801
ChainResidue
FGLY28
FALA29
FVAL30
FASP51
FVAL52
FILE53
FTHR94
FALA95
FGLY96
FALA97
FARG98
FASN112
FILE119
FVAL135
FSER136
FASN137
FSER160
FLEU164
FHIS192
FTHR247
FILE251
FLAC803
FHOH901
FHOH907
FHOH922
FHOH930

site_idAD8
Number of Residues4
Detailsbinding site for residue SO4 F 802
ChainResidue
FARG170
FHIS185
FHOH948
HHIS185

site_idAD9
Number of Residues8
Detailsbinding site for residue LAC F 803
ChainResidue
FGLN99
FARG105
FASN137
FARG168
FHIS192
FALA237
FTHR247
FNAD801

site_idAE1
Number of Residues24
Detailsbinding site for residue NAD G 801
ChainResidue
DGLN330
GGLY28
GALA29
GVAL30
GASP51
GVAL52
GILE53
GTHR94
GALA95
GGLY96
GARG98
GILE119
GVAL135
GSER136
GASN137
GSER160
GLEU164
GHIS192
GTHR247
GILE251
GHOH908
GHOH912
GHOH948
GHOH952

site_idAE2
Number of Residues9
Detailsbinding site for residue D4J G 802
ChainResidue
GASN137
GASP165
GARG168
GHIS192
GGLY193
GVAL234
GALA237
GILE241
GTHR247

site_idAE3
Number of Residues24
Detailsbinding site for residue NAD H 801
ChainResidue
HGLY28
HALA29
HVAL30
HASP51
HVAL52
HILE53
HTHR94
HALA95
HGLY96
HALA97
HARG98
HILE119
HVAL135
HSER136
HASN137
HSER160
HLEU164
HHIS192
HTHR247
HILE251
HLAC802
HHOH902
HHOH907
HHOH932

site_idAE4
Number of Residues9
Detailsbinding site for residue LAC H 802
ChainResidue
HGLN99
HARG105
HASN137
HLEU164
HARG168
HHIS192
HALA237
HTHR247
HNAD801

Functional Information from PROSITE/UniProt
site_idPS00064
Number of Residues7
DetailsL_LDH L-lactate dehydrogenase active site. LGEHGDS
ChainResidueDetails
ALEU189-SER195

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
AHIS192
BHIS192
CHIS192
DHIS192
EHIS192
FHIS192
GHIS192
HHIS192

site_idSWS_FT_FI2
Number of Residues16
DetailsBINDING: BINDING => ECO:0000269|PubMed:11276087
ChainResidueDetails
AGLY28
EARG98
FGLY28
FARG98
GGLY28
GARG98
HGLY28
HARG98
AARG98
BGLY28
BARG98
CGLY28
CARG98
DGLY28
DARG98
EGLY28

site_idSWS_FT_FI3
Number of Residues32
DetailsBINDING:
ChainResidueDetails
AARG105
CASN137
CARG168
CTHR247
DARG105
DASN137
DARG168
DTHR247
EARG105
EASN137
EARG168
AASN137
ETHR247
FARG105
FASN137
FARG168
FTHR247
GARG105
GASN137
GARG168
GTHR247
HARG105
AARG168
HASN137
HARG168
HTHR247
ATHR247
BARG105
BASN137
BARG168
BTHR247
CARG105

site_idSWS_FT_FI4
Number of Residues8
DetailsMOD_RES: N-acetylalanine => ECO:0000269|Ref.10, ECO:0007744|PubMed:19413330, ECO:0007744|PubMed:22223895
ChainResidueDetails
AALA1
BALA1
CALA1
DALA1
EALA1
FALA1
GALA1
HALA1

site_idSWS_FT_FI5
Number of Residues24
DetailsMOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:P06151
ChainResidueDetails
ALYS4
DLYS4
DLYS117
DLYS317
ELYS4
ELYS117
ELYS317
FLYS4
FLYS117
FLYS317
GLYS4
ALYS117
GLYS117
GLYS317
HLYS4
HLYS117
HLYS317
ALYS317
BLYS4
BLYS117
BLYS317
CLYS4
CLYS117
CLYS317

site_idSWS_FT_FI6
Number of Residues8
DetailsMOD_RES: Phosphotyrosine => ECO:0007744|PubMed:19690332
ChainResidueDetails
ATYR9
BTYR9
CTYR9
DTYR9
ETYR9
FTYR9
GTYR9
HTYR9

site_idSWS_FT_FI7
Number of Residues24
DetailsMOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861
ChainResidueDetails
ALYS13
DLYS13
DLYS80
DLYS125
ELYS13
ELYS80
ELYS125
FLYS13
FLYS80
FLYS125
GLYS13
ALYS80
GLYS80
GLYS125
HLYS13
HLYS80
HLYS125
ALYS125
BLYS13
BLYS80
BLYS125
CLYS13
CLYS80
CLYS125

site_idSWS_FT_FI8
Number of Residues8
DetailsMOD_RES: Phosphothreonine => ECO:0007744|PubMed:23186163
ChainResidueDetails
ATHR17
BTHR17
CTHR17
DTHR17
ETHR17
FTHR17
GTHR17
HTHR17

site_idSWS_FT_FI9
Number of Residues8
DetailsMOD_RES: N6-acetyllysine; alternate => ECO:0007744|PubMed:19608861
ChainResidueDetails
ALYS56
BLYS56
CLYS56
DLYS56
ELYS56
FLYS56
GLYS56
HLYS56

site_idSWS_FT_FI10
Number of Residues24
DetailsMOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P06151
ChainResidueDetails
ALYS223
DLYS223
DLYS231
DLYS242
ELYS223
ELYS231
ELYS242
FLYS223
FLYS231
FLYS242
GLYS223
ALYS231
GLYS231
GLYS242
HLYS223
HLYS231
HLYS242
ALYS242
BLYS223
BLYS231
BLYS242
CLYS223
CLYS231
CLYS242

site_idSWS_FT_FI11
Number of Residues8
DetailsMOD_RES: Phosphotyrosine => ECO:0000250|UniProtKB:P06151
ChainResidueDetails
ATYR238
BTYR238
CTYR238
DTYR238
ETYR238
FTYR238
GTYR238
HTYR238

site_idSWS_FT_FI12
Number of Residues16
DetailsMOD_RES: Phosphothreonine => ECO:0000250|UniProtKB:P04642
ChainResidueDetails
ATHR308
ETHR321
FTHR308
FTHR321
GTHR308
GTHR321
HTHR308
HTHR321
ATHR321
BTHR308
BTHR321
CTHR308
CTHR321
DTHR308
DTHR321
ETHR308

site_idSWS_FT_FI13
Number of Residues8
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569
ChainResidueDetails
ASER309
BSER309
CSER309
DSER309
ESER309
FSER309
GSER309
HSER309

site_idSWS_FT_FI14
Number of Residues16
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:28112733
ChainResidueDetails
ALYS56
FLYS56
GLYS56
HLYS56
BLYS56
CLYS56
DLYS56
ELYS56

222624

PDB entries from 2024-07-17

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