4AJH

rat LDHA in complex with N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido- propanamide and 2-(4-bromophenoxy)propanedioic acid

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0001666	biological_process	response to hypoxia
A	0001889	biological_process	liver development
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	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0005829	cellular_component	cytosol
A	0006089	biological_process	lactate metabolic process
A	0007519	biological_process	skeletal muscle tissue development
A	0007584	biological_process	response to nutrient
A	0009410	biological_process	response to xenobiotic stimulus
A	0009749	biological_process	response to glucose
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	0019674	biological_process	NAD+ metabolic process
A	0019752	biological_process	carboxylic acid metabolic process
A	0019900	molecular_function	kinase binding
A	0035686	cellular_component	sperm fibrous sheath
A	0042542	biological_process	response to hydrogen peroxide
A	0042802	molecular_function	identical protein binding
A	0042867	biological_process	pyruvate catabolic process
A	0043065	biological_process	positive regulation of apoptotic process
A	0043627	biological_process	response to estrogen
A	0051287	molecular_function	NAD binding
A	0051591	biological_process	response to cAMP
A	1904628	biological_process	cellular response to phorbol 13-acetate 12-myristate
A	1990204	cellular_component	oxidoreductase complex
B	0001666	biological_process	response to hypoxia
B	0001889	biological_process	liver development
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	0005737	cellular_component	cytoplasm
B	0005739	cellular_component	mitochondrion
B	0005829	cellular_component	cytosol
B	0006089	biological_process	lactate metabolic process
B	0007519	biological_process	skeletal muscle tissue development
B	0007584	biological_process	response to nutrient
B	0009410	biological_process	response to xenobiotic stimulus
B	0009749	biological_process	response to glucose
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	0019674	biological_process	NAD+ metabolic process
B	0019752	biological_process	carboxylic acid metabolic process
B	0019900	molecular_function	kinase binding
B	0035686	cellular_component	sperm fibrous sheath
B	0042542	biological_process	response to hydrogen peroxide
B	0042802	molecular_function	identical protein binding
B	0042867	biological_process	pyruvate catabolic process
B	0043065	biological_process	positive regulation of apoptotic process
B	0043627	biological_process	response to estrogen
B	0051287	molecular_function	NAD binding
B	0051591	biological_process	response to cAMP
B	1904628	biological_process	cellular response to phorbol 13-acetate 12-myristate
B	1990204	cellular_component	oxidoreductase complex
C	0001666	biological_process	response to hypoxia
C	0001889	biological_process	liver development
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	0005737	cellular_component	cytoplasm
C	0005739	cellular_component	mitochondrion
C	0005829	cellular_component	cytosol
C	0006089	biological_process	lactate metabolic process
C	0007519	biological_process	skeletal muscle tissue development
C	0007584	biological_process	response to nutrient
C	0009410	biological_process	response to xenobiotic stimulus
C	0009749	biological_process	response to glucose
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	0019674	biological_process	NAD+ metabolic process
C	0019752	biological_process	carboxylic acid metabolic process
C	0019900	molecular_function	kinase binding
C	0035686	cellular_component	sperm fibrous sheath
C	0042542	biological_process	response to hydrogen peroxide
C	0042802	molecular_function	identical protein binding
C	0042867	biological_process	pyruvate catabolic process
C	0043065	biological_process	positive regulation of apoptotic process
C	0043627	biological_process	response to estrogen
C	0051287	molecular_function	NAD binding
C	0051591	biological_process	response to cAMP
C	1904628	biological_process	cellular response to phorbol 13-acetate 12-myristate
C	1990204	cellular_component	oxidoreductase complex
D	0001666	biological_process	response to hypoxia
D	0001889	biological_process	liver development
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	0005737	cellular_component	cytoplasm
D	0005739	cellular_component	mitochondrion
D	0005829	cellular_component	cytosol
D	0006089	biological_process	lactate metabolic process
D	0007519	biological_process	skeletal muscle tissue development
D	0007584	biological_process	response to nutrient
D	0009410	biological_process	response to xenobiotic stimulus
D	0009749	biological_process	response to glucose
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	0019674	biological_process	NAD+ metabolic process
D	0019752	biological_process	carboxylic acid metabolic process
D	0019900	molecular_function	kinase binding
D	0035686	cellular_component	sperm fibrous sheath
D	0042542	biological_process	response to hydrogen peroxide
D	0042802	molecular_function	identical protein binding
D	0042867	biological_process	pyruvate catabolic process
D	0043065	biological_process	positive regulation of apoptotic process
D	0043627	biological_process	response to estrogen
D	0051287	molecular_function	NAD binding
D	0051591	biological_process	response to cAMP
D	1904628	biological_process	cellular response to phorbol 13-acetate 12-myristate
D	1990204	cellular_component	oxidoreductase complex

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE MLI A 1332

Chain	Residue
A	ARG105
A	ASN137
A	LEU164
A	ARG168
A	HIS192
A	ALA237
A	THR247
A	HOH2180
A	HOH2274

---

site_id	AC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE MLI A 1333

Chain	Residue
A	ARG170
A	HIS185
A	TRP187
A	VAL269
A	HOH2203
A	HOH2228
A	HOH2316
A	HOH2317
D	SER183
D	HIS185

---

site_id	AC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE MLI B 1332

Chain	Residue
B	ARG170
B	HIS185
B	TRP187
B	VAL269
B	HOH2179
B	HOH2182
B	HOH2244
B	HOH2283
B	HOH2284
C	SER183
C	HIS185

---

site_id	AC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE MLI C 1333

Chain	Residue
B	SER183
B	HIS185
B	HOH2176
B	HOH2177
B	HOH2178
C	ARG170
C	HIS185
C	TRP187
C	VAL269
C	HOH2157
C	HOH2215

---

site_id	AC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE MLI C 1337

Chain	Residue
C	GLN99
C	ARG105
C	ASN137
C	LEU164
C	ARG168
C	HIS192
C	ALA237
C	THR247
C	HOH2208

---

site_id	AC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE MLI D 1333

Chain	Residue
D	ARG105
D	ASN137
D	LEU164
D	ARG168
D	HIS192
D	ALA237
D	THR247
D	HOH2174

---

site_id	AC7
Number of Residues	11
Details	BINDING SITE FOR RESIDUE MLI D 1334

Chain	Residue
A	SER183
A	HIS185
A	HOH2223
A	HOH2224
A	HOH2225
D	ARG170
D	HIS185
D	VAL269
D	HOH2129
D	HOH2186
D	HOH2208

---

site_id	AC8
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 88S A 1334

Chain	Residue
A	GLY28
A	ASP51
A	VAL52
A	THR94
A	ALA95
A	GLY96
A	ARG98
A	PHE118
A	HOH2027
A	HOH2031
A	HOH2118
A	HOH2125

---

site_id	AC9
Number of Residues	14
Details	BINDING SITE FOR RESIDUE 88S B 1333

Chain	Residue
B	GLY28
B	ASP51
B	VAL52
B	THR94
B	ALA95
B	GLY96
B	ARG98
B	ILE119
B	2B41334
B	HOH2022
B	HOH2027
B	HOH2093
B	HOH2099
B	HOH2100

---

site_id	BC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 88S C 1335

Chain	Residue
C	ALA95
C	GLY96
C	PHE118
C	ILE119
C	2B41336
C	HOH2013
C	HOH2018
C	HOH2085
C	GLY28
C	ASP51
C	VAL52
C	THR94

---

site_id	BC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 88S D 1335

Chain	Residue
D	GLY28
D	ASP51
D	VAL52
D	THR94
D	ALA95
D	GLY96
D	PHE118
D	HOH2023
D	HOH2026
D	HOH2044
D	HOH2069
D	HOH2073

---

site_id	BC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 2B4 B 1334

Chain	Residue
B	VAL30
B	THR94
B	GLN99
B	ARG105
B	VAL135
B	ASN137
B	LEU164
B	ARG168
B	HIS192
B	ALA237
B	THR247
B	88S1333

---

site_id	BC4
Number of Residues	16
Details	BINDING SITE FOR RESIDUE 2B4 C 1336

Chain	Residue
C	VAL30
C	THR94
C	GLN99
C	ARG105
C	VAL135
C	ASN137
C	LEU164
C	ARG168
C	HIS192
C	ALA237
C	THR247
C	ILE251
C	88S1335
C	HOH2104
C	HOH2134
C	HOH2208

---

site_id	BC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL C 1332

Chain	Residue
B	SER201
B	GLY202
B	ASN204
B	GLY207
C	SER201
C	GLY202
C	VAL203
C	ASN204
C	GLY207
C	SER209

---

site_id	BC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 1332

Chain	Residue
C	LYS41
D	MET40
D	ASP42
D	PHE70
D	LEU71
D	LYS72
D	HOH2058

---

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 => ECO:0000250

Chain	Residue	Details
A	HIS192
B	HIS192
C	HIS192
D	HIS192

---

site_id	SWS_FT_FI2
Number of Residues	24
Details	BINDING: BINDING => ECO:0000250

Chain	Residue	Details
A	GLY28
B	ASN137
B	ARG168
B	THR247
C	GLY28
C	ARG98
C	ARG105
C	ASN137
C	ARG168
C	THR247
D	GLY28
A	ARG98
D	ARG98
D	ARG105
D	ASN137
D	ARG168
D	THR247
A	ARG105
A	ASN137
A	ARG168
A	THR247
B	GLY28
B	ARG98
B	ARG105

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	MOD_RES: N-acetylalanine => ECO:0000269|Ref.3

Chain	Residue	Details
A	ALA1
B	ALA1
C	ALA1
D	ALA1

---

site_id	SWS_FT_FI4
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_FI5
Number of Residues	12
Details	MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P00338

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_FI6
Number of Residues	4
Details	MOD_RES: N6-acetyllysine; alternate => ECO:0000250|UniProtKB:P00338

Chain	Residue	Details
A	LYS56
B	LYS56
C	LYS56
D	LYS56

---

site_id	SWS_FT_FI7
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:22673903

Chain	Residue	Details
A	SER212
B	SER212
C	SER212
D	SER212

---

site_id	SWS_FT_FI8
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_FI9
Number of Residues	4
Details	MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:22673903

Chain	Residue	Details
A	TYR238
B	TYR238
C	TYR238
D	TYR238

---

site_id	SWS_FT_FI10
Number of Residues	8
Details	MOD_RES: Phosphothreonine => ECO:0007744|PubMed:22673903

Chain	Residue	Details
A	THR308
A	THR321
B	THR308
B	THR321
C	THR308
C	THR321
D	THR308
D	THR321

---

site_id	SWS_FT_FI11
Number of Residues	8
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0000250|UniProtKB:P00338

Chain	Residue	Details
A	LYS56
B	LYS56
C	LYS56
D	LYS56

---