6SBU

X-ray Structure of Human LDHA with an Allosteric Inhibitor (Compound 3)

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	12
Details	binding site for residue L5N A 1001

Chain	Residue
A	MET62
B	TYR172
B	LEU173
B	SER237
A	GLN66
A	HIS67
A	SER69
A	LEU70
A	THR74
A	PRO75
A	LYS76
A	ILE77

---

site_id	AC2
Number of Residues	18
Details	binding site for residue NAI A 1002

Chain	Residue
A	GLY29
A	VAL31
A	ASP52
A	VAL53
A	ILE54
A	TYR83
A	THR95
A	ALA96
A	GLY97
A	ARG99
A	PHE119
A	VAL136
A	SER137
A	ASN138
A	SER161
A	HIS193
A	ILE252
A	HOH1104

---

site_id	AC3
Number of Residues	11
Details	binding site for residue L5N B 1001

Chain	Residue
A	ARG169
A	TYR172
A	LEU173
B	MET62
B	GLN66
B	SER69
B	LEU70
B	THR74
B	PRO75
B	LYS76
B	ILE77

---

site_id	AC4
Number of Residues	13
Details	binding site for residue L5N C 1001

Chain	Residue
C	GLN66
C	HIS67
C	SER69
C	LEU70
C	THR74
C	PRO75
C	LYS76
C	ILE77
C	HOH1105
C	HOH1109
D	TYR172
D	LEU173
D	SER237

---

site_id	AC5
Number of Residues	12
Details	binding site for residue L5N D 1001

Chain	Residue
C	TYR172
C	SER237
D	LYS59
D	MET62
D	GLN66
D	HIS67
D	SER69
D	LEU70
D	THR74
D	PRO75
D	LYS76
D	ILE77

---

site_id	AC6
Number of Residues	12
Details	binding site for residue L5N E 1001

Chain	Residue
E	MET62
E	GLN66
E	HIS67
E	SER69
E	LEU70
E	THR74
E	PRO75
E	LYS76
E	ILE77
F	TYR172
F	LEU173
F	SER237

---

site_id	AC7
Number of Residues	20
Details	binding site for residue NAI E 1002

Chain	Residue
E	GLY29
E	ALA30
E	VAL31
E	ASP52
E	VAL53
E	ILE54
E	TYR83
E	THR95
E	ALA96
E	GLY97
E	ARG99
E	PHE119
E	VAL136
E	SER137
E	ASN138
E	SER161
E	HIS193
E	THR248
E	ILE252
E	HOH1104

---

site_id	AC8
Number of Residues	11
Details	binding site for residue L5N F 1001

Chain	Residue
E	TYR172
F	MET62
F	GLN66
F	HIS67
F	SER69
F	LEU70
F	THR74
F	PRO75
F	LYS76
F	ILE77
E	ARG169

---

site_id	AC9
Number of Residues	13
Details	binding site for residue L5N G 1001

Chain	Residue
G	GLN66
G	HIS67
G	SER69
G	LEU70
G	THR74
G	PRO75
G	LYS76
G	ILE77
G	HOH1101
G	HOH1104
H	TYR172
H	LEU173
H	SER237

---

site_id	AD1
Number of Residues	12
Details	binding site for residue L5N H 1001

Chain	Residue
G	TYR172
G	SER237
H	MET62
H	GLN66
H	HIS67
H	SER69
H	LEU70
H	THR74
H	PRO75
H	LYS76
H	ILE77
H	HOH1112

---

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

---