Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6N94

Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-amino(dethia)-CoA

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0004492	molecular_function	methyl/ethyl malonyl-CoA decarboxylase activity
A	0005829	cellular_component	cytosol
A	0006635	biological_process	fatty acid beta-oxidation
A	0016829	molecular_function	lyase activity
A	0016831	molecular_function	carboxy-lyase activity
B	0003824	molecular_function	catalytic activity
B	0004492	molecular_function	methyl/ethyl malonyl-CoA decarboxylase activity
B	0005829	cellular_component	cytosol
B	0006635	biological_process	fatty acid beta-oxidation
B	0016829	molecular_function	lyase activity
B	0016831	molecular_function	carboxy-lyase activity
C	0003824	molecular_function	catalytic activity
C	0004492	molecular_function	methyl/ethyl malonyl-CoA decarboxylase activity
C	0005829	cellular_component	cytosol
C	0006635	biological_process	fatty acid beta-oxidation
C	0016829	molecular_function	lyase activity
C	0016831	molecular_function	carboxy-lyase activity
D	0003824	molecular_function	catalytic activity
D	0004492	molecular_function	methyl/ethyl malonyl-CoA decarboxylase activity
D	0005829	cellular_component	cytosol
D	0006635	biological_process	fatty acid beta-oxidation
D	0016829	molecular_function	lyase activity
D	0016831	molecular_function	carboxy-lyase activity
E	0003824	molecular_function	catalytic activity
E	0004492	molecular_function	methyl/ethyl malonyl-CoA decarboxylase activity
E	0005829	cellular_component	cytosol
E	0006635	biological_process	fatty acid beta-oxidation
E	0016829	molecular_function	lyase activity
E	0016831	molecular_function	carboxy-lyase activity
F	0003824	molecular_function	catalytic activity
F	0004492	molecular_function	methyl/ethyl malonyl-CoA decarboxylase activity
F	0005829	cellular_component	cytosol
F	0006635	biological_process	fatty acid beta-oxidation
F	0016829	molecular_function	lyase activity
F	0016831	molecular_function	carboxy-lyase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	binding site for residue KGJ A 301

Chain	Residue
A	LEU25
A	GLY109
A	GLY110
A	THR132
A	PRO133
A	LEU136
A	TYR140
A	LYS253
A	HOH417
A	HOH455
A	HOH504
A	LYS60
A	HOH544
A	ALA64
A	GLY65
A	HIS66
A	ASP67
A	ILE68
A	HIS69
A	TRP108

site_id	AC2
Number of Residues	6
Details	binding site for residue NI A 302

Chain	Residue
A	HIS220
A	HOH608
A	HOH621
B	HIS220
C	HIS220
C	HOH613

site_id	AC3
Number of Residues	17
Details	binding site for residue KGJ B 301

Chain	Residue
B	LYS60
B	ALA64
B	GLY65
B	HIS66
B	ASP67
B	ILE68
B	GLY110
B	THR132
B	PRO133
B	LEU136
B	VAL138
B	TYR140
B	PHE250
B	LYS253
B	HOH407
B	HOH439
B	HOH528

site_id	AC4
Number of Residues	4
Details	binding site for residue PEG B 302

Chain	Residue
B	SER57
B	HOH585
B	HOH601
B	HOH605

site_id	AC5
Number of Residues	21
Details	binding site for residue KGJ C 301

Chain	Residue
C	ARG23
C	LYS24
C	LEU25
C	LYS60
C	ALA64
C	GLY65
C	HIS66
C	ASP67
C	ILE68
C	TRP108
C	GLY110
C	THR132
C	PRO133
C	LEU136
C	TYR140
C	PHE250
C	HOH405
C	HOH438
C	HOH441
C	HOH478
C	HOH493

site_id	AC6
Number of Residues	15
Details	binding site for residue KGJ C 302

Chain	Residue
B	HIS197
B	HOH523
B	HOH614
C	SER106
C	VAL107
C	TRP108
C	THR128
C	PHE129
C	SER130
C	SER165
C	PRO166
C	HOH403
C	HOH440
C	HOH504
C	HOH550

site_id	AC7
Number of Residues	3
Details	binding site for residue K C 303

Chain	Residue
C	GLN38
C	PG4305
C	HOH629

site_id	AC8
Number of Residues	3
Details	binding site for residue PEG C 304

Chain	Residue
C	ASN44
C	HOH424
C	HOH462

site_id	AC9
Number of Residues	5
Details	binding site for residue PG4 C 305

Chain	Residue
C	ASP34
C	GLN38
C	SER41
C	K303
D	LYS253

site_id	AD1
Number of Residues	6
Details	binding site for residue NI D 301

Chain	Residue
F	HIS220
D	HIS220
D	HOH586
D	HOH601
E	HIS220
E	HOH577

site_id	AD2
Number of Residues	18
Details	binding site for residue KGJ D 302

Chain	Residue
D	LYS24
D	LEU25
D	LYS60
D	ALA64
D	GLY65
D	HIS66
D	ASP67
D	ILE68
D	TRP108
D	GLY110
D	THR132
D	PRO133
D	LEU136
D	TYR140
D	PHE250
D	LYS253
D	HOH420
D	HOH423

site_id	AD3
Number of Residues	7
Details	binding site for residue IMD D 303

Chain	Residue
D	VAL9
D	ILE11
D	VAL14
D	VAL16
D	LEU192
D	HIS196
D	HOH579

site_id	AD4
Number of Residues	21
Details	binding site for residue KGJ E 301

Chain	Residue
A	HOH463
E	ARG23
E	LYS24
E	LEU25
E	LYS60
E	ALA64
E	GLY65
E	HIS66
E	ASP67
E	ILE68
E	HIS69
E	TRP108
E	GLY110
E	THR132
E	PRO133
E	LEU136
E	TYR140
E	PHE250
E	LYS253
E	HOH421
E	HOH447

site_id	AD5
Number of Residues	17
Details	binding site for residue KGJ E 302

Chain	Residue
A	LYS255
D	HIS197
E	SER106
E	VAL107
E	TRP108
E	THR128
E	PHE129
E	SER130
E	SER165
E	PRO166
E	HOH418
E	HOH428
E	HOH497
E	HOH533
E	HOH548
E	HOH600
E	HOH608

site_id	AD6
Number of Residues	17
Details	binding site for residue KGJ F 301

Chain	Residue
F	ARG23
F	LYS24
F	LEU25
F	ALA64
F	GLY65
F	HIS66
F	ASP67
F	ILE68
F	TRP108
F	GLY110
F	THR132
F	PRO133
F	LEU136
F	TYR140
F	PHE250
F	LYS253
F	HOH440

site_id	AD7
Number of Residues	15
Details	binding site for residue KGJ F 302

Chain	Residue
E	HIS197
E	HOH578
F	SER106
F	VAL107
F	TRP108
F	THR128
F	PHE129
F	SER130
F	SER165
F	PRO166
F	HOH412
F	HOH430
F	HOH465
F	HOH582
F	HOH592

site_id	AD8
Number of Residues	3
Details	binding site for residue K F 303

Chain	Residue
F	PGE304
F	HOH406
F	HOH610

site_id	AD9
Number of Residues	6
Details	binding site for residue PGE F 304

Chain	Residue
D	HOH565
F	PHE190
F	GLN193
F	MET194
F	K303
F	HOH409

Functional Information from PROSITE/UniProt

site_id	PS00166
Number of Residues	21
Details	ENOYL_COA_HYDRATASE Enoyl-CoA hydratase/isomerase signature. ISmVEGsvwGGAfemiMsSDL

Chain	Residue	Details
A	ILE100-LEU120

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	24
Details	Binding site: {}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	18
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10769118","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	3
Details	M-CSA 70

Chain	Residue	Details
A	HIS66	electrostatic stabiliser, hydrogen bond donor
A	GLY110	electrostatic stabiliser, hydrogen bond donor
A	TYR140	hydrogen bond donor, steric role

site_id	MCSA2
Number of Residues	3
Details	M-CSA 70

Chain	Residue	Details
B	HIS66	electrostatic stabiliser, hydrogen bond donor
B	GLY110	electrostatic stabiliser, hydrogen bond donor
B	TYR140	hydrogen bond donor, steric role

site_id	MCSA3
Number of Residues	3
Details	M-CSA 70

Chain	Residue	Details
C	HIS66	electrostatic stabiliser, hydrogen bond donor
C	GLY110	electrostatic stabiliser, hydrogen bond donor
C	TYR140	hydrogen bond donor, steric role

site_id	MCSA4
Number of Residues	3
Details	M-CSA 70

Chain	Residue	Details
D	HIS66	electrostatic stabiliser, hydrogen bond donor
D	GLY110	electrostatic stabiliser, hydrogen bond donor
D	TYR140	hydrogen bond donor, steric role

site_id	MCSA5
Number of Residues	3
Details	M-CSA 70

Chain	Residue	Details
E	HIS66	electrostatic stabiliser, hydrogen bond donor
E	GLY110	electrostatic stabiliser, hydrogen bond donor
E	TYR140	hydrogen bond donor, steric role

site_id	MCSA6
Number of Residues	3
Details	M-CSA 70

Chain	Residue	Details
F	HIS66	electrostatic stabiliser, hydrogen bond donor
F	GLY110	electrostatic stabiliser, hydrogen bond donor
F	TYR140	hydrogen bond donor, steric role

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)