Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6N97

Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-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	24
Details	binding site for residue YZS A 301

Chain	Residue
A	LYS60
A	THR132
A	PRO133
A	LEU136
A	VAL138
A	TYR140
A	PHE250
A	LYS253
A	KGP302
A	HOH414
A	HOH451
A	ALA64
A	HOH454
A	HOH484
A	HOH513
A	HOH544
A	HOH559
A	HIS66
A	ASP67
A	ILE68
A	HIS69
A	TRP108
A	GLY109
A	GLY110

site_id	AC2
Number of Residues	24
Details	binding site for residue KGP A 302

Chain	Residue
A	LYS60
A	ALA64
A	HIS66
A	ASP67
A	ILE68
A	HIS69
A	TRP108
A	GLY109
A	GLY110
A	THR132
A	PRO133
A	LEU136
A	VAL138
A	TYR140
A	PHE250
A	LYS253
A	YZS301
A	HOH414
A	HOH451
A	HOH454
A	HOH484
A	HOH513
A	HOH544
A	HOH559

site_id	AC3
Number of Residues	3
Details	binding site for residue NI A 303

Chain	Residue
A	HIS220
B	HIS220
C	HIS220

site_id	AC4
Number of Residues	23
Details	binding site for residue YZS B 301

Chain	Residue
B	ALA64
B	HIS66
B	ASP67
B	ILE68
B	LEU71
B	TRP108
B	GLY109
B	GLY110
B	MET131
B	THR132
B	PRO133
B	VAL138
B	TYR140
B	PHE250
B	LYS253
B	KGP302
B	HOH404
B	HOH410
B	HOH426
B	HOH447
B	HOH448
B	HOH511
B	HOH598

site_id	AC5
Number of Residues	22
Details	binding site for residue KGP B 302

Chain	Residue
B	ALA64
B	HIS66
B	ASP67
B	ILE68
B	TRP108
B	GLY109
B	GLY110
B	MET131
B	THR132
B	PRO133
B	VAL138
B	TYR140
B	PHE250
B	LYS253
B	YZS301
B	HOH404
B	HOH410
B	HOH426
B	HOH447
B	HOH448
B	HOH511
B	HOH598

site_id	AC6
Number of Residues	25
Details	binding site for residue YZS C 301

Chain	Residue
C	ALA64
C	GLY65
C	HIS66
C	ASP67
C	ILE68
C	HIS69
C	TRP108
C	GLY109
C	GLY110
C	MET131
C	THR132
C	PRO133
C	VAL138
C	TYR140
C	PHE250
C	LYS253
C	KGP302
C	HOH406
C	HOH421
C	HOH475
C	HOH516
C	HOH545
C	ARG23
C	LYS24
C	LEU25

site_id	AC7
Number of Residues	23
Details	binding site for residue KGP C 302

Chain	Residue
C	ARG23
C	LYS24
C	LEU25
C	ALA64
C	HIS66
C	ASP67
C	ILE68
C	HIS69
C	TRP108
C	GLY109
C	GLY110
C	MET131
C	THR132
C	PRO133
C	VAL138
C	TYR140
C	PHE250
C	YZS301
C	HOH406
C	HOH421
C	HOH475
C	HOH516
C	HOH545

site_id	AC8
Number of Residues	17
Details	binding site for residue YZS C 303

Chain	Residue
B	HIS197
B	LYS255
B	HOH586
C	SER106
C	VAL107
C	TRP108
C	THR128
C	PHE129
C	SER130
C	SER165
C	PRO166
C	HOH403
C	HOH408
C	HOH427
C	HOH444
C	HOH460
C	HOH684

site_id	AC9
Number of Residues	20
Details	binding site for residue YZS D 301

Chain	Residue
D	ALA64
D	HIS66
D	ASP67
D	ILE68
D	TRP108
D	GLY109
D	GLY110
D	THR132
D	PRO133
D	LEU136
D	VAL138
D	TYR140
D	PHE250
D	LYS253
D	KGP302
D	HOH419
D	HOH431
D	HOH490
D	HOH557
D	HOH591

site_id	AD1
Number of Residues	20
Details	binding site for residue KGP D 302

Chain	Residue
D	ALA64
D	HIS66
D	ASP67
D	ILE68
D	TRP108
D	GLY109
D	GLY110
D	THR132
D	PRO133
D	LEU136
D	VAL138
D	TYR140
D	PHE250
D	LYS253
D	YZS301
D	HOH419
D	HOH431
D	HOH490
D	HOH557
D	HOH591

site_id	AD2
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	HOH600

site_id	AD3
Number of Residues	3
Details	binding site for residue NI E 301

Chain	Residue
D	HIS220
E	HIS220
F	HIS220

site_id	AD4
Number of Residues	24
Details	binding site for residue YZS E 302

Chain	Residue
A	LYS253
A	HOH435
E	ALA64
E	HIS66
E	ASP67
E	ILE68
E	TRP108
E	GLY109
E	GLY110
E	MET131
E	THR132
E	PRO133
E	LEU136
E	VAL138
E	TYR140
E	PHE250
E	LYS253
E	KGP303
E	HOH402
E	HOH411
E	HOH420
E	HOH433
E	HOH453
E	HOH564

site_id	AD5
Number of Residues	24
Details	binding site for residue KGP E 303

Chain	Residue
A	LYS253
A	HOH435
E	ALA64
E	HIS66
E	ASP67
E	ILE68
E	TRP108
E	GLY109
E	GLY110
E	MET131
E	THR132
E	PRO133
E	LEU136
E	VAL138
E	TYR140
E	PHE250
E	LYS253
E	YZS302
E	HOH402
E	HOH411
E	HOH420
E	HOH433
E	HOH453
E	HOH564

site_id	AD6
Number of Residues	21
Details	binding site for residue YZS E 304

Chain	Residue
A	LYS255
D	HIS197
D	HOH565
D	HOH631
E	SER106
E	VAL107
E	TRP108
E	THR128
E	PHE129
E	SER130
E	SER165
E	PRO166
E	HOH405
E	HOH446
E	HOH453
E	HOH464
E	HOH529
E	HOH586
E	HOH593
E	HOH651
E	HOH658

site_id	AD7
Number of Residues	20
Details	binding site for residue YZS F 301

Chain	Residue
F	ALA64
F	HIS66
F	ASP67
F	ILE68
F	HIS69
F	TRP108
F	GLY109
F	GLY110
F	MET131
F	THR132
F	PRO133
F	TYR140
F	PHE250
F	LYS253
F	KGP302
F	HOH402
F	HOH414
F	HOH517
F	HOH543
F	HOH563

site_id	AD8
Number of Residues	19
Details	binding site for residue KGP F 302

Chain	Residue
F	ALA64
F	HIS66
F	ASP67
F	ILE68
F	HIS69
F	TRP108
F	GLY109
F	GLY110
F	THR132
F	PRO133
F	TYR140
F	PHE250
F	LYS253
F	YZS301
F	HOH402
F	HOH414
F	HOH517
F	HOH543
F	HOH563

site_id	AD9
Number of Residues	18
Details	binding site for residue YZS F 303

Chain	Residue
E	HIS197
E	HOH567
F	SER106
F	VAL107
F	TRP108
F	THR128
F	PHE129
F	SER130
F	SER165
F	PRO166
F	HOH405
F	HOH409
F	HOH424
F	HOH444
F	HOH448
F	HOH456
F	HOH517
F	HOH523

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)