1EGC

STRUCTURE OF T255E, E376G MUTANT OF HUMAN MEDIUM CHAIN ACYL-COA DEHYDROGENASE COMPLEXED WITH OCTANOYL-COA

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0001889	biological_process	liver development
A	0003995	molecular_function	acyl-CoA dehydrogenase activity
A	0005634	cellular_component	nucleus
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0005759	cellular_component	mitochondrial matrix
A	0005978	biological_process	glycogen biosynthetic process
A	0006082	biological_process	organic acid metabolic process
A	0006111	biological_process	regulation of gluconeogenesis
A	0006629	biological_process	lipid metabolic process
A	0006631	biological_process	fatty acid metabolic process
A	0006635	biological_process	fatty acid beta-oxidation
A	0007507	biological_process	heart development
A	0009409	biological_process	response to cold
A	0009437	biological_process	carnitine metabolic process
A	0009791	biological_process	post-embryonic development
A	0016491	molecular_function	oxidoreductase activity
A	0016627	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors
A	0019254	biological_process	carnitine metabolic process, CoA-linked
A	0030424	cellular_component	axon
A	0031966	cellular_component	mitochondrial membrane
A	0033011	cellular_component	perinuclear theca
A	0033539	biological_process	fatty acid beta-oxidation using acyl-CoA dehydrogenase
A	0042594	biological_process	response to starvation
A	0042802	molecular_function	identical protein binding
A	0045329	biological_process	carnitine biosynthetic process
A	0050660	molecular_function	flavin adenine dinucleotide binding
A	0051791	biological_process	medium-chain fatty acid metabolic process
A	0051793	biological_process	medium-chain fatty acid catabolic process
A	0055007	biological_process	cardiac muscle cell differentiation
A	0070991	molecular_function	medium-chain fatty acyl-CoA dehydrogenase activity
A	0097228	cellular_component	sperm principal piece
A	0120238	cellular_component	sperm glycocalyx
B	0001889	biological_process	liver development
B	0003995	molecular_function	acyl-CoA dehydrogenase activity
B	0005634	cellular_component	nucleus
B	0005737	cellular_component	cytoplasm
B	0005739	cellular_component	mitochondrion
B	0005759	cellular_component	mitochondrial matrix
B	0005978	biological_process	glycogen biosynthetic process
B	0006082	biological_process	organic acid metabolic process
B	0006111	biological_process	regulation of gluconeogenesis
B	0006629	biological_process	lipid metabolic process
B	0006631	biological_process	fatty acid metabolic process
B	0006635	biological_process	fatty acid beta-oxidation
B	0007507	biological_process	heart development
B	0009409	biological_process	response to cold
B	0009437	biological_process	carnitine metabolic process
B	0009791	biological_process	post-embryonic development
B	0016491	molecular_function	oxidoreductase activity
B	0016627	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors
B	0019254	biological_process	carnitine metabolic process, CoA-linked
B	0030424	cellular_component	axon
B	0031966	cellular_component	mitochondrial membrane
B	0033011	cellular_component	perinuclear theca
B	0033539	biological_process	fatty acid beta-oxidation using acyl-CoA dehydrogenase
B	0042594	biological_process	response to starvation
B	0042802	molecular_function	identical protein binding
B	0045329	biological_process	carnitine biosynthetic process
B	0050660	molecular_function	flavin adenine dinucleotide binding
B	0051791	biological_process	medium-chain fatty acid metabolic process
B	0051793	biological_process	medium-chain fatty acid catabolic process
B	0055007	biological_process	cardiac muscle cell differentiation
B	0070991	molecular_function	medium-chain fatty acyl-CoA dehydrogenase activity
B	0097228	cellular_component	sperm principal piece
B	0120238	cellular_component	sperm glycocalyx
C	0001889	biological_process	liver development
C	0003995	molecular_function	acyl-CoA dehydrogenase activity
C	0005634	cellular_component	nucleus
C	0005737	cellular_component	cytoplasm
C	0005739	cellular_component	mitochondrion
C	0005759	cellular_component	mitochondrial matrix
C	0005978	biological_process	glycogen biosynthetic process
C	0006082	biological_process	organic acid metabolic process
C	0006111	biological_process	regulation of gluconeogenesis
C	0006629	biological_process	lipid metabolic process
C	0006631	biological_process	fatty acid metabolic process
C	0006635	biological_process	fatty acid beta-oxidation
C	0007507	biological_process	heart development
C	0009409	biological_process	response to cold
C	0009437	biological_process	carnitine metabolic process
C	0009791	biological_process	post-embryonic development
C	0016491	molecular_function	oxidoreductase activity
C	0016627	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors
C	0019254	biological_process	carnitine metabolic process, CoA-linked
C	0030424	cellular_component	axon
C	0031966	cellular_component	mitochondrial membrane
C	0033011	cellular_component	perinuclear theca
C	0033539	biological_process	fatty acid beta-oxidation using acyl-CoA dehydrogenase
C	0042594	biological_process	response to starvation
C	0042802	molecular_function	identical protein binding
C	0045329	biological_process	carnitine biosynthetic process
C	0050660	molecular_function	flavin adenine dinucleotide binding
C	0051791	biological_process	medium-chain fatty acid metabolic process
C	0051793	biological_process	medium-chain fatty acid catabolic process
C	0055007	biological_process	cardiac muscle cell differentiation
C	0070991	molecular_function	medium-chain fatty acyl-CoA dehydrogenase activity
C	0097228	cellular_component	sperm principal piece
C	0120238	cellular_component	sperm glycocalyx
D	0001889	biological_process	liver development
D	0003995	molecular_function	acyl-CoA dehydrogenase activity
D	0005634	cellular_component	nucleus
D	0005737	cellular_component	cytoplasm
D	0005739	cellular_component	mitochondrion
D	0005759	cellular_component	mitochondrial matrix
D	0005978	biological_process	glycogen biosynthetic process
D	0006082	biological_process	organic acid metabolic process
D	0006111	biological_process	regulation of gluconeogenesis
D	0006629	biological_process	lipid metabolic process
D	0006631	biological_process	fatty acid metabolic process
D	0006635	biological_process	fatty acid beta-oxidation
D	0007507	biological_process	heart development
D	0009409	biological_process	response to cold
D	0009437	biological_process	carnitine metabolic process
D	0009791	biological_process	post-embryonic development
D	0016491	molecular_function	oxidoreductase activity
D	0016627	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors
D	0019254	biological_process	carnitine metabolic process, CoA-linked
D	0030424	cellular_component	axon
D	0031966	cellular_component	mitochondrial membrane
D	0033011	cellular_component	perinuclear theca
D	0033539	biological_process	fatty acid beta-oxidation using acyl-CoA dehydrogenase
D	0042594	biological_process	response to starvation
D	0042802	molecular_function	identical protein binding
D	0045329	biological_process	carnitine biosynthetic process
D	0050660	molecular_function	flavin adenine dinucleotide binding
D	0051791	biological_process	medium-chain fatty acid metabolic process
D	0051793	biological_process	medium-chain fatty acid catabolic process
D	0055007	biological_process	cardiac muscle cell differentiation
D	0070991	molecular_function	medium-chain fatty acyl-CoA dehydrogenase activity
D	0097228	cellular_component	sperm principal piece
D	0120238	cellular_component	sperm glycocalyx

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	BINDING SITE FOR RESIDUE CO8 A 400

Chain	Residue
A	THR168
A	ASN191
A	PHE245
A	MET249
A	PHE252
A	ASP253
A	ARG256
A	THR326
A	TYR375
A	GLY376
A	GLY377
A	ARG388
A	FAD399
A	HOH2034
B	PHE284
A	GLU99
A	LEU103
A	GLY141
A	SER142
A	VAL144

---

site_id	AC2
Number of Residues	23
Details	BINDING SITE FOR RESIDUE CO8 B 400

Chain	Residue
A	PHE284
B	GLU99
B	LEU103
B	THR136
B	GLY141
B	SER142
B	VAL144
B	ALA145
B	ASN191
B	PHE245
B	MET249
B	PHE252
B	ASP253
B	ARG256
B	VAL259
B	THR326
B	TYR375
B	GLY376
B	GLY377
B	ILE381
B	FAD399
C	ASN191
C	LYS192

---

site_id	AC3
Number of Residues	20
Details	BINDING SITE FOR RESIDUE CO8 C 400

Chain	Residue
B	ASN191
B	LYS192
C	GLU99
C	GLY100
C	LEU103
C	THR136
C	SER142
C	VAL144
C	ASN191
C	PHE245
C	MET249
C	PHE252
C	ASP253
C	VAL259
C	THR326
C	TYR375
C	GLY376
C	GLY377
C	ARG388
C	FAD399

---

site_id	AC4
Number of Residues	21
Details	BINDING SITE FOR RESIDUE CO8 D 400

Chain	Residue
D	GLN95
D	THR96
D	LEU103
D	GLY141
D	SER142
D	VAL144
D	ALA145
D	ASN191
D	PHE245
D	MET249
D	PHE252
D	ASP253
D	ARG256
D	ARG324
D	THR326
D	TYR375
D	GLY376
D	GLY377
D	ILE381
D	ARG388
D	FAD399

---

site_id	AC5
Number of Residues	24
Details	BINDING SITE FOR RESIDUE FAD A 399

Chain	Residue
A	THR378
A	GLN380
A	CO8400
B	TYR277
B	ARG281
B	THR283
B	LEU288
B	HIS291
B	ILE294
B	GLN349
B	ILE350
B	GLY353
D	GLN292
A	TYR133
A	VAL135
A	THR136
A	GLY141
A	SER142
A	TRP166
A	THR168
A	THR222
A	ILE371
A	ILE374
A	TYR375

---

site_id	AC6
Number of Residues	24
Details	BINDING SITE FOR RESIDUE FAD B 399

Chain	Residue
A	ARG281
A	THR283
A	PHE284
A	LEU288
A	HIS291
A	ILE294
A	GLN349
A	ILE350
A	GLY353
B	TYR133
B	VAL135
B	THR136
B	GLY141
B	SER142
B	TRP166
B	THR168
B	THR222
B	ILE374
B	TYR375
B	THR378
B	GLN380
B	CO8400
B	HOH2050
C	GLN292

---

site_id	AC7
Number of Residues	25
Details	BINDING SITE FOR RESIDUE FAD C 399

Chain	Residue
B	GLN292
C	TYR133
C	VAL135
C	THR136
C	GLY141
C	SER142
C	TRP166
C	ILE167
C	THR168
C	ASN214
C	ILE374
C	TYR375
C	THR378
C	GLN380
C	CO8400
C	HOH2010
D	ARG281
D	THR283
D	LEU288
D	HIS291
D	ILE294
D	GLN349
D	ILE350
D	GLY352
D	GLY353

---

site_id	AC8
Number of Residues	24
Details	BINDING SITE FOR RESIDUE FAD D 399

Chain	Residue
A	GLN292
C	ARG281
C	THR283
C	PHE284
C	LEU288
C	HIS291
C	ILE294
C	GLN349
C	ILE350
C	GLY353
D	TYR133
D	VAL135
D	THR136
D	GLY141
D	SER142
D	TRP166
D	THR168
D	THR222
D	ILE374
D	TYR375
D	THR378
D	GLN380
D	CO8400
D	HOH2119

---

site_id	CA1
Number of Residues	1
Details	CATALYTIC BASE IN CHAIN A

Chain	Residue
A	GLU255

---

site_id	CA2
Number of Residues	1
Details	CATALYTIC BASE IN CHAIN B

Chain	Residue
B	GLU255

---

site_id	CA3
Number of Residues	1
Details	CATALYTIC BASE IN CHAIN C

Chain	Residue
C	GLU255

---

site_id	CA4
Number of Residues	1
Details	CATALYTIC BASE IN CHAIN D

Chain	Residue
D	GLU255

---

Functional Information from PROSITE/UniProt

site_id	PS00072
Number of Residues	13
Details	ACYL_COA_DH_1 Acyl-CoA dehydrogenases signature 1. CVTEpgAGSDvaG

Chain	Residue	Details
A	CYS134-GLY146

---

site_id	PS00073
Number of Residues	20
Details	ACYL_COA_DH_2 Acyl-CoA dehydrogenases signature 2. QiLGGnGFntEypveKlmrD

Chain	Residue	Details
A	GLN349-ASP368

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"1970566","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8823176","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	64
Details	Binding site: {"description":"in other chain","evidences":[{"source":"PubMed","id":"15159392","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15975918","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8823176","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"FEB-2014","submissionDatabase":"PDB data bank","title":"Medium chain acyl-CoA dehydrogenase, K304E mutant.","authors":["Battaile K.P.","Mohsen A.-W.","Vockley J."]}},{"source":"PDB","id":"1EGC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1EGD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1EGE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1T9G","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2A1T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4P13","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PubMed","id":"8823176","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1EGC","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	24
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15159392","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15975918","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8823176","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"FEB-2014","submissionDatabase":"PDB data bank","title":"Medium chain acyl-CoA dehydrogenase, K304E mutant.","authors":["Battaile K.P.","Mohsen A.-W.","Vockley J."]}},{"source":"PDB","id":"1EGC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1EGD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1EGE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1T9G","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2A1T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4P13","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	20
Details	Modified residue: {"description":"N6-succinyllysine; alternate","evidences":[{"source":"UniProtKB","id":"P45952","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"P45952","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	8
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	4
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"UniProtKB","id":"P45952","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

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

Chain	Residue	Details
A	GLU255

---

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

Chain	Residue	Details
B	GLU255

---

site_id	CSA3
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
C	GLU255

---

site_id	CSA4
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
D	GLU255

---

site_id	CSA5
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
A	GLY376

---

site_id	CSA6
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
B	GLY376

---

site_id	CSA7
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
C	GLY376

---

site_id	CSA8
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
D	GLY376

---