4QT0

Crystal structure of human muscle L-lactate dehydrogenase in complex with inhibitor 1, 3-{[3-CARBAMOYL-7-(2,4-DIMETHOXYPYRIMIDIN-5-YL)QUINOLIN-4-YL]AMINO}BENZOIC ACID

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	10
Details	BINDING SITE FOR RESIDUE 38Q A 501

Chain	Residue
A	ASP52
A	PHE119
A	VAL53
A	ALA96
A	GLY97
A	ALA98
A	ARG99
A	ARG112
A	ASN115
A	ILE116

---

site_id	AC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 38Q B 501

Chain	Residue
B	ASP52
B	VAL53
B	ALA96
B	GLY97
B	ALA98
B	ARG99
B	ARG112
B	ILE116
B	PHE119
H	GLU102

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 38Q C 501

Chain	Residue
C	ASP52
C	VAL53
C	ALA96
C	GLY97
C	ALA98
C	ARG99
C	ARG112
C	ASN115
C	ILE116
C	PHE119

---

site_id	AC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE 38Q D 501

Chain	Residue
D	ASP52
D	VAL53
D	ALA96
D	GLY97
D	ARG99
D	ARG112
D	ASN115
D	ILE116
D	PHE119

---

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE 38Q E 501

Chain	Residue
E	ASP52
E	VAL53
E	ALA96
E	GLY97
E	ALA98
E	ARG99
E	ARG112
E	PHE119

---

site_id	AC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 38Q F 501

Chain	Residue
A	LYS328
A	GLU329
F	ASP52
F	VAL53
F	ALA96
F	GLY97
F	ARG99
F	ARG112
F	ASN115
F	ILE116
F	PHE119

---

site_id	AC7
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 38Q G 501

Chain	Residue
A	GLU102
G	ASP52
G	VAL53
G	ALA96
G	GLY97
G	ALA98
G	ARG99
G	ARG112
G	ASN115
G	ILE116
G	PHE119

---

site_id	AC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 38Q H 501

Chain	Residue
H	ASP52
H	VAL53
H	ALA96
H	GLY97
H	ALA98
H	ARG99
H	ARG112
H	ASN115
H	ILE116
H	PHE119

---

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	LEU190-SER196

---

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	32
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	24
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	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

---