6BB1

Lactate Dehydrogenase in complex with inhibitor (R)-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	0019661	biological_process	glucose catabolic process to lactate via pyruvate
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
A	1990204	cellular_component	oxidoreductase complex
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	0019661	biological_process	glucose catabolic process to lactate via pyruvate
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
B	1990204	cellular_component	oxidoreductase complex
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	0019661	biological_process	glucose catabolic process to lactate via pyruvate
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
C	1990204	cellular_component	oxidoreductase complex
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	0019661	biological_process	glucose catabolic process to lactate via pyruvate
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
D	1990204	cellular_component	oxidoreductase complex
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	0019661	biological_process	glucose catabolic process to lactate via pyruvate
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
E	1990204	cellular_component	oxidoreductase complex
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	0019661	biological_process	glucose catabolic process to lactate via pyruvate
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
F	1990204	cellular_component	oxidoreductase complex
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	0019661	biological_process	glucose catabolic process to lactate via pyruvate
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
G	1990204	cellular_component	oxidoreductase complex
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	0019661	biological_process	glucose catabolic process to lactate via pyruvate
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
H	1990204	cellular_component	oxidoreductase complex

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
Details	binding site for residue NAD A 801

Chain	Residue
A	GLY28
A	GLY96
A	ARG98
A	ILE115
A	ILE119
A	VAL135
A	SER136
A	ASN137
A	SER160
A	LEU164
A	HIS192
A	ALA29
A	THR247
A	ILE251
A	D3J803
A	HOH910
A	HOH927
A	HOH957
A	VAL30
A	ASP51
A	VAL52
A	ILE53
A	LYS56
A	THR94
A	ALA95

---

site_id	AC2
Number of Residues	5
Details	binding site for residue SO4 A 802

Chain	Residue
A	ARG170
A	HIS185
A	HOH909
A	HOH943
C	HIS185

---

site_id	AC3
Number of Residues	14
Details	binding site for residue D3J A 803

Chain	Residue
A	ASN137
A	PRO138
A	ASP165
A	ARG168
A	HIS192
A	GLY193
A	ASP194
A	ALA237
A	TYR238
A	ILE241
A	THR247
A	NAD801
A	HOH927
A	HOH977

---

site_id	AC4
Number of Residues	25
Details	binding site for residue NAD B 801

Chain	Residue
B	GLY28
B	ALA29
B	VAL30
B	ASP51
B	VAL52
B	ILE53
B	THR94
B	ALA95
B	GLY96
B	ILE115
B	ILE119
B	VAL135
B	SER136
B	ASN137
B	SER160
B	LEU164
B	HIS192
B	THR247
B	ILE251
B	D3J803
B	HOH905
B	HOH907
B	HOH922
B	HOH939
B	HOH965

---

site_id	AC5
Number of Residues	7
Details	binding site for residue SO4 B 802

Chain	Residue
B	ARG170
B	HIS185
B	HOH923
B	HOH929
B	HOH947
D	LEU182
D	HIS185

---

site_id	AC6
Number of Residues	13
Details	binding site for residue D3J B 803

Chain	Residue
B	LEU108
B	ASN137
B	PRO138
B	ASP165
B	ARG168
B	HIS192
B	GLY193
B	ALA237
B	TYR238
B	ILE241
B	THR247
B	NAD801
B	HOH905

---

site_id	AC7
Number of Residues	30
Details	binding site for residue NAD C 801

Chain	Residue
C	ALA97
C	ARG98
C	ILE119
C	VAL135
C	SER136
C	ASN137
C	SER160
C	LEU164
C	HIS192
C	THR247
C	ILE251
C	LAC803
C	HOH903
C	HOH904
C	HOH916
C	HOH924
C	HOH925
C	HOH954
C	HOH979
H	ASN107
C	GLY28
C	ALA29
C	VAL30
C	ASP51
C	VAL52
C	ILE53
C	LYS56
C	THR94
C	ALA95
C	GLY96

---

site_id	AC8
Number of Residues	4
Details	binding site for residue SO4 C 802

Chain	Residue
C	TRP147
C	PRO153
C	LYS154
C	HOH943

---

site_id	AC9
Number of Residues	9
Details	binding site for residue LAC C 803

Chain	Residue
C	GLN99
C	ARG105
C	ASN137
C	LEU164
C	ARG168
C	HIS192
C	ALA237
C	THR247
C	NAD801

---

site_id	AD1
Number of Residues	25
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	ARG98
D	ILE115
D	ILE119
D	VAL135
D	SER136
D	ASN137
D	SER160
D	LEU164
D	HIS192
D	THR247
D	ILE251
D	HOH924
D	HOH936
D	HOH939
D	HOH942
D	HOH963

---

site_id	AD2
Number of Residues	7
Details	binding site for residue SO4 D 802

Chain	Residue
B	LEU182
B	HIS185
D	ARG170
D	HIS185
D	HOH921
D	HOH937
D	HOH967

---

site_id	AD3
Number of Residues	3
Details	binding site for residue SO4 D 803

Chain	Residue
D	TRP147
D	PRO153
D	LYS154

---

site_id	AD4
Number of Residues	14
Details	binding site for residue D3J D 804

Chain	Residue
D	GLN99
D	ARG105
D	LEU108
D	ASN137
D	ASP165
D	ARG168
D	HIS192
D	GLY193
D	ASP194
D	ALA237
D	TYR238
D	ILE241
D	THR247
D	HOH924

---

site_id	AD5
Number of Residues	24
Details	binding site for residue NAD E 801

Chain	Residue
A	HOH917
A	HOH931
E	GLY28
E	ALA29
E	VAL30
E	ASP51
E	VAL52
E	ILE53
E	THR94
E	ALA95
E	GLY96
E	ILE119
E	VAL135
E	SER136
E	ASN137
E	LEU164
E	HIS192
E	THR247
E	ILE251
E	D3J802
E	HOH911
E	HOH915
E	HOH922
E	HOH923

---

site_id	AD6
Number of Residues	14
Details	binding site for residue D3J E 802

Chain	Residue
E	ASN137
E	PRO138
E	ASP165
E	ARG168
E	HIS192
E	GLY193
E	ASP194
E	ALA237
E	TYR238
E	ILE241
E	THR247
E	NAD801
E	HOH945
E	HOH963

---

site_id	AD7
Number of Residues	20
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	ILE115
F	ILE119
F	VAL135
F	SER136
F	ASN137
F	SER160
F	LEU164
F	HIS192
F	THR247
F	ILE251
F	D3J803
F	HOH904

---

site_id	AD8
Number of Residues	4
Details	binding site for residue SO4 F 802

Chain	Residue
F	TRP147
F	PRO153
F	LYS154
F	HOH926

---

site_id	AD9
Number of Residues	12
Details	binding site for residue D3J F 803

Chain	Residue
F	ASN137
F	PRO138
F	ASP165
F	ARG168
F	HIS192
F	GLY193
F	ASP194
F	ALA237
F	TYR238
F	ILE241
F	THR247
F	NAD801

---

site_id	AE1
Number of Residues	25
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	ILE115
G	ILE119
G	VAL135
G	SER136
G	ASN137
G	SER160
G	LEU164
G	HIS192
G	THR247
G	ILE251
G	HOH905
G	HOH913
G	HOH938
G	HOH939
G	HOH942

---

site_id	AE2
Number of Residues	4
Details	binding site for residue SO4 G 802

Chain	Residue
G	TRP147
G	PHE152
G	PRO153
G	LYS154

---

site_id	AE3
Number of Residues	12
Details	binding site for residue D3J G 803

Chain	Residue
G	ARG105
G	ASN137
G	PRO138
G	ASP165
G	ARG168
G	HIS192
G	GLY193
G	ASP194
G	ALA237
G	TYR238
G	ILE241
G	THR247

---

site_id	AE4
Number of Residues	27
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	ILE115
H	ILE119
H	VAL135
H	SER136
H	ASN137
H	SER160
H	LEU164
H	HIS192
H	THR247
H	ILE251
H	HOH901
H	HOH903
H	HOH904
H	HOH936
H	HOH938
H	HOH954

---

site_id	AE5
Number of Residues	3
Details	binding site for residue SO4 H 802

Chain	Residue
H	TRP147
H	PRO153
H	LYS154

---

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	228
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11276087","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	29
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	6
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	22
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	16
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"UniProtKB","id":"P04642","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI13
Number of Residues	8
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

---