Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6N95

Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-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	21
Details	binding site for residue YXS A 301

Chain	Residue
A	LYS24
A	MET131
A	THR132
A	PRO133
A	LEU136
A	VAL138
A	TYR140
A	PHE250
A	LYS253
A	YXR302
A	HOH412
A	LYS60
A	HOH494
A	HOH533
A	ALA64
A	HIS66
A	ASP67
A	ILE68
A	HIS69
A	GLY109
A	GLY110

site_id	AC2
Number of Residues	20
Details	binding site for residue YXR A 302

Chain	Residue
A	LYS24
A	LYS60
A	ALA64
A	HIS66
A	ASP67
A	ILE68
A	HIS69
A	GLY109
A	GLY110
A	THR132
A	PRO133
A	LEU136
A	VAL138
A	TYR140
A	PHE250
A	LYS253
A	YXS301
A	HOH412
A	HOH494
A	HOH533

site_id	AC3
Number of Residues	5
Details	binding site for residue NI A 303

Chain	Residue
A	HIS220
B	HIS220
B	HOH571
C	HIS220
C	HOH557

site_id	AC4
Number of Residues	19
Details	binding site for residue YXS B 301

Chain	Residue
B	LYS60
B	ALA64
B	HIS66
B	ASP67
B	ILE68
B	LEU71
B	GLY109
B	GLY110
B	MET131
B	THR132
B	PRO133
B	LEU136
B	TYR140
B	PHE250
B	LYS253
B	YXR302
B	HOH406
B	HOH427
B	HOH462

site_id	AC5
Number of Residues	19
Details	binding site for residue YXR B 302

Chain	Residue
B	LYS60
B	ALA64
B	HIS66
B	ASP67
B	ILE68
B	TRP108
B	GLY109
B	GLY110
B	THR132
B	PRO133
B	LEU136
B	VAL138
B	TYR140
B	PHE250
B	LYS253
B	YXS301
B	HOH406
B	HOH427
B	HOH462

site_id	AC6
Number of Residues	22
Details	binding site for residue YXS C 301

Chain	Residue
C	PHE250
C	YXR302
C	HOH404
C	HOH419
C	HOH455
C	HOH457
C	HOH537
C	ARG23
C	LYS24
C	LEU25
C	LYS60
C	ALA64
C	HIS66
C	ASP67
C	ILE68
C	LEU71
C	GLY109
C	GLY110
C	MET131
C	THR132
C	PRO133
C	TYR140

site_id	AC7
Number of Residues	21
Details	binding site for residue YXR C 302

Chain	Residue
C	ARG23
C	LYS24
C	LEU25
C	LYS60
C	ALA64
C	HIS66
C	ASP67
C	ILE68
C	GLY109
C	GLY110
C	THR132
C	PRO133
C	LEU136
C	TYR140
C	PHE250
C	YXS301
C	HOH404
C	HOH419
C	HOH455
C	HOH457
C	HOH537

site_id	AC8
Number of Residues	4
Details	binding site for residue K C 303

Chain	Residue
C	GLN38
C	PG4304
C	HOH518
C	HOH606

site_id	AC9
Number of Residues	6
Details	binding site for residue PG4 C 304

Chain	Residue
C	ASP34
C	GLN38
C	SER41
C	K303
C	HOH518
D	LYS253

site_id	AD1
Number of Residues	5
Details	binding site for residue PEG C 305

Chain	Residue
C	ASN44
C	PRO46
C	HOH486
C	HOH547
C	HOH578

site_id	AD2
Number of Residues	4
Details	binding site for residue NI D 301

Chain	Residue
D	HIS220
E	HIS220
F	HIS220
F	HOH608

site_id	AD3
Number of Residues	19
Details	binding site for residue YXS D 302

Chain	Residue
D	LYS60
D	ALA64
D	HIS66
D	ASP67
D	ILE68
D	TRP108
D	GLY109
D	GLY110
D	MET131
D	THR132
D	PRO133
D	LEU136
D	VAL138
D	TYR140
D	PHE250
D	LYS253
D	YXR303
D	HOH431
D	HOH433

site_id	AD4
Number of Residues	20
Details	binding site for residue YXR D 303

Chain	Residue
D	LYS24
D	LEU25
D	LYS60
D	ALA64
D	HIS66
D	ASP67
D	ILE68
D	TRP108
D	GLY109
D	GLY110
D	MET131
D	THR132
D	PRO133
D	LEU136
D	VAL138
D	TYR140
D	YXS302
D	HOH419
D	HOH431
D	HOH433

site_id	AD5
Number of Residues	25
Details	binding site for residue YXS E 301

Chain	Residue
A	LYS253
A	HOH425
E	LYS24
E	LEU25
E	ALA64
E	HIS66
E	ASP67
E	ILE68
E	LEU71
E	TRP108
E	GLY109
E	GLY110
E	MET131
E	THR132
E	PRO133
E	LEU136
E	VAL138
E	TYR140
E	PHE250
E	YXR302
E	HOH405
E	HOH406
E	HOH457
E	HOH473
E	HOH546

site_id	AD6
Number of Residues	23
Details	binding site for residue YXR E 302

Chain	Residue
A	LYS253
A	HOH425
E	LYS60
E	ALA64
E	HIS66
E	ASP67
E	ILE68
E	GLY109
E	GLY110
E	MET131
E	THR132
E	PRO133
E	LEU136
E	VAL138
E	TYR140
E	PHE250
E	LYS253
E	YXS301
E	HOH405
E	HOH406
E	HOH457
E	HOH473
E	HOH546

site_id	AD7
Number of Residues	21
Details	binding site for residue YXS F 301

Chain	Residue
F	LYS24
F	LEU25
F	LYS60
F	ALA64
F	HIS66
F	ASP67
F	ILE68
F	TRP108
F	GLY109
F	GLY110
F	MET131
F	THR132
F	PRO133
F	LEU136
F	VAL138
F	TYR140
F	PHE250
F	YXR302
F	HOH402
F	HOH405
F	HOH520

site_id	AD8
Number of Residues	18
Details	binding site for residue YXR F 302

Chain	Residue
F	LEU25
F	LYS60
F	ALA64
F	HIS66
F	ILE68
F	GLY109
F	GLY110
F	THR132
F	PRO133
F	LEU136
F	VAL138
F	TYR140
F	PHE250
F	LYS253
F	YXS301
F	HOH402
F	HOH405
F	HOH520

site_id	AD9
Number of Residues	3
Details	binding site for residue K F 303

Chain	Residue
F	PGE304
F	HOH535
F	HOH623

site_id	AE1
Number of Residues	6
Details	binding site for residue PGE F 304

Chain	Residue
D	HOH578
F	PHE190
F	MET194
F	K303
F	HOH406
F	HOH535

site_id	AE2
Number of Residues	5
Details	binding site for residue PEG F 305

Chain	Residue
E	SER57
E	GLY58
F	GLU241
F	HIS261
F	HOH554

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	6
Details	BINDING:

Chain	Residue	Details
A	ALA64
B	ALA64
C	ALA64
D	ALA64
E	ALA64
F	ALA64

site_id	SWS_FT_FI2
Number of Residues	18
Details	BINDING: BINDING => ECO:0000269\|PubMed:10769118

Chain	Residue	Details
A	GLY110
D	GLY110
D	THR132
D	LYS253
E	GLY110
E	THR132
E	LYS253
F	GLY110
F	THR132
F	LYS253
A	THR132
A	LYS253
B	GLY110
B	THR132
B	LYS253
C	GLY110
C	THR132
C	LYS253

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)