1OLU

Roles of His291-alpha and His146-beta' in the reductive acylation reaction catalyzed by human branched-chain alpha-ketoacid dehydrogenase

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003863	molecular_function	branched-chain 2-oxo acid dehydrogenase activity
A	0005515	molecular_function	protein binding
A	0005739	cellular_component	mitochondrion
A	0005759	cellular_component	mitochondrial matrix
A	0009083	biological_process	branched-chain amino acid catabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0016624	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor
A	0016831	molecular_function	carboxy-lyase activity
A	0046872	molecular_function	metal ion binding
A	0047101	molecular_function	obsolete branched-chain alpha-keto acid dehydrogenase activity
A	0120552	biological_process	branched-chain alpha-keto acid decarboxylation to branched-chain acyl-CoA
A	0160157	cellular_component	branched-chain alpha-ketoacid dehydrogenase complex

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K A 501

Chain	Residue
A	GLN112
A	SER161
A	PRO163
A	THR166
A	GLN167
A	HOH2083

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 503

Chain	Residue
A	TPP601
A	HOH2163
A	GLU193
A	ASN222
A	TYR224

---

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE K B 502

Chain	Residue
B	GLY128
B	LEU130
B	THR131
B	CYS178
B	ASP181
B	ASN183
B	HOH2126

---

site_id	AC4
Number of Residues	24
Details	BINDING SITE FOR RESIDUE TPP A 601

Chain	Residue
A	ARG114
A	SER162
A	PRO163
A	LEU164
A	GLY192
A	GLU193
A	GLY194
A	ALA195
A	GLU198
A	ARG220
A	ASN222
A	TYR224
A	ALA225
A	ILE226
A	MG503
A	HOH2163
A	HOH2167
A	HOH2278
A	HOH2279
B	GLU46
B	LEU74
B	GLU76
B	GLN98
B	TYR102

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 701

Chain	Residue
A	ASN359
A	PRO360
A	ASN361
A	LEU382
A	LEU386
A	HOH2280
A	HOH2281

---

site_id	AC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 702

Chain	Residue
A	GLN374
B	TRP260
B	THR284
B	GLU290
B	THR294
B	ARG309
B	HOH2230
B	HOH2259

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 703

Chain	Residue
A	ALA373
A	GLN374
A	LYS377
B	ASP261
B	VAL262
B	ASP263

---

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 704

Chain	Residue
B	LEU283
B	ARG309
B	VAL310
B	CYS311
B	GLY312
B	TYR313
B	HOH2250

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	7
Details	BINDING: BINDING => ECO:0000269|PubMed:10745006, ECO:0007744|PDB:1DTW

Chain	Residue	Details
B	TYR102
A	ALA195
A	ARG220
A	ASN222
A	TYR224
A	ALA291
B	GLY128
B	LEU130
B	THR131
B	CYS178
B	ASP181
B	ASN183
A	GLU193
A	GLY194

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:Q6P3A8

Chain	Residue	Details
B	LYS182

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861

Chain	Residue	Details
B	LYS191

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P50136

Chain	Residue	Details
A	SER294
A	SER302

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	MOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:P50136

Chain	Residue	Details
A	LYS311

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:P50136

Chain	Residue	Details
A	LYS335

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	1
Details	Annotated By Reference To The Literature 1dtw

Chain	Residue	Details
B	GLU76

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1dtw

Chain	Residue	Details
B	GLU76
B	HIS146

---

site_id	MCSA1
Number of Residues	2
Details	M-CSA 280

Chain	Residue	Details
A	GLU76	activator, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, steric role
A	SER162	hydrogen bond acceptor, steric role

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