Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3SWD

E. coli MurA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys115

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0008360	biological_process	regulation of cell shape
A	0008760	molecular_function	UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity
A	0009252	biological_process	peptidoglycan biosynthetic process
A	0016740	molecular_function	transferase activity
A	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
A	0019277	biological_process	UDP-N-acetylgalactosamine biosynthetic process
A	0051301	biological_process	cell division
A	0071555	biological_process	cell wall organization
B	0003824	molecular_function	catalytic activity
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0008360	biological_process	regulation of cell shape
B	0008760	molecular_function	UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity
B	0009252	biological_process	peptidoglycan biosynthetic process
B	0016740	molecular_function	transferase activity
B	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
B	0019277	biological_process	UDP-N-acetylgalactosamine biosynthetic process
B	0051301	biological_process	cell division
B	0071555	biological_process	cell wall organization
C	0003824	molecular_function	catalytic activity
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0008360	biological_process	regulation of cell shape
C	0008760	molecular_function	UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity
C	0009252	biological_process	peptidoglycan biosynthetic process
C	0016740	molecular_function	transferase activity
C	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
C	0019277	biological_process	UDP-N-acetylgalactosamine biosynthetic process
C	0051301	biological_process	cell division
C	0071555	biological_process	cell wall organization
D	0003824	molecular_function	catalytic activity
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0008360	biological_process	regulation of cell shape
D	0008760	molecular_function	UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity
D	0009252	biological_process	peptidoglycan biosynthetic process
D	0016740	molecular_function	transferase activity
D	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
D	0019277	biological_process	UDP-N-acetylgalactosamine biosynthetic process
D	0051301	biological_process	cell division
D	0071555	biological_process	cell wall organization
E	0003824	molecular_function	catalytic activity
E	0005737	cellular_component	cytoplasm
E	0005829	cellular_component	cytosol
E	0008360	biological_process	regulation of cell shape
E	0008760	molecular_function	UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity
E	0009252	biological_process	peptidoglycan biosynthetic process
E	0016740	molecular_function	transferase activity
E	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
E	0019277	biological_process	UDP-N-acetylgalactosamine biosynthetic process
E	0051301	biological_process	cell division
E	0071555	biological_process	cell wall organization
F	0003824	molecular_function	catalytic activity
F	0005737	cellular_component	cytoplasm
F	0005829	cellular_component	cytosol
F	0008360	biological_process	regulation of cell shape
F	0008760	molecular_function	UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity
F	0009252	biological_process	peptidoglycan biosynthetic process
F	0016740	molecular_function	transferase activity
F	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
F	0019277	biological_process	UDP-N-acetylgalactosamine biosynthetic process
F	0051301	biological_process	cell division
F	0071555	biological_process	cell wall organization
G	0003824	molecular_function	catalytic activity
G	0005737	cellular_component	cytoplasm
G	0005829	cellular_component	cytosol
G	0008360	biological_process	regulation of cell shape
G	0008760	molecular_function	UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity
G	0009252	biological_process	peptidoglycan biosynthetic process
G	0016740	molecular_function	transferase activity
G	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
G	0019277	biological_process	UDP-N-acetylgalactosamine biosynthetic process
G	0051301	biological_process	cell division
G	0071555	biological_process	cell wall organization
H	0003824	molecular_function	catalytic activity
H	0005737	cellular_component	cytoplasm
H	0005829	cellular_component	cytosol
H	0008360	biological_process	regulation of cell shape
H	0008760	molecular_function	UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity
H	0009252	biological_process	peptidoglycan biosynthetic process
H	0016740	molecular_function	transferase activity
H	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
H	0019277	biological_process	UDP-N-acetylgalactosamine biosynthetic process
H	0051301	biological_process	cell division
H	0071555	biological_process	cell wall organization
I	0003824	molecular_function	catalytic activity
I	0005737	cellular_component	cytoplasm
I	0005829	cellular_component	cytosol
I	0008360	biological_process	regulation of cell shape
I	0008760	molecular_function	UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity
I	0009252	biological_process	peptidoglycan biosynthetic process
I	0016740	molecular_function	transferase activity
I	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
I	0019277	biological_process	UDP-N-acetylgalactosamine biosynthetic process
I	0051301	biological_process	cell division
I	0071555	biological_process	cell wall organization
J	0003824	molecular_function	catalytic activity
J	0005737	cellular_component	cytoplasm
J	0005829	cellular_component	cytosol
J	0008360	biological_process	regulation of cell shape
J	0008760	molecular_function	UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity
J	0009252	biological_process	peptidoglycan biosynthetic process
J	0016740	molecular_function	transferase activity
J	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
J	0019277	biological_process	UDP-N-acetylgalactosamine biosynthetic process
J	0051301	biological_process	cell division
J	0071555	biological_process	cell wall organization
K	0003824	molecular_function	catalytic activity
K	0005737	cellular_component	cytoplasm
K	0005829	cellular_component	cytosol
K	0008360	biological_process	regulation of cell shape
K	0008760	molecular_function	UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity
K	0009252	biological_process	peptidoglycan biosynthetic process
K	0016740	molecular_function	transferase activity
K	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
K	0019277	biological_process	UDP-N-acetylgalactosamine biosynthetic process
K	0051301	biological_process	cell division
K	0071555	biological_process	cell wall organization
L	0003824	molecular_function	catalytic activity
L	0005737	cellular_component	cytoplasm
L	0005829	cellular_component	cytosol
L	0008360	biological_process	regulation of cell shape
L	0008760	molecular_function	UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity
L	0009252	biological_process	peptidoglycan biosynthetic process
L	0016740	molecular_function	transferase activity
L	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
L	0019277	biological_process	UDP-N-acetylgalactosamine biosynthetic process
L	0051301	biological_process	cell division
L	0071555	biological_process	cell wall organization

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	BINDING SITE FOR RESIDUE EPZ A 501

Chain	Residue
A	LYS22
A	SER162
A	VAL163
A	GLY164
A	THR304
A	ASP305
A	VAL327
A	PHE328
A	HOH607
A	HOH624
A	HOH662
A	ASN23
A	HOH668
A	ALA119
A	ARG120
A	PRO121
A	VAL122
A	ASP123
A	LEU124
A	LYS160

site_id	AC2
Number of Residues	20
Details	BINDING SITE FOR RESIDUE EPZ B 501

Chain	Residue
B	LYS22
B	ASN23
B	ALA92
B	TRP95
B	ALA119
B	ARG120
B	PRO121
B	VAL122
B	ASP123
B	LEU124
B	SER162
B	VAL163
B	GLY164
B	ASP305
B	VAL327
B	PHE328
B	ARG331
B	LEU370
B	HOH622
B	HOH638

site_id	AC3
Number of Residues	24
Details	BINDING SITE FOR RESIDUE EPZ C 501

Chain	Residue
C	LYS22
C	ASN23
C	TRP95
C	ALA119
C	ARG120
C	PRO121
C	VAL122
C	ASP123
C	LEU124
C	LYS160
C	SER162
C	VAL163
C	GLY164
C	THR304
C	ASP305
C	VAL327
C	PHE328
C	ARG331
C	LEU370
C	HOH604
C	HOH609
C	HOH649
C	HOH673
C	HOH684

site_id	AC4
Number of Residues	20
Details	BINDING SITE FOR RESIDUE EPZ D 501

Chain	Residue
D	LYS22
D	ASN23
D	TRP95
D	ALA119
D	ARG120
D	PRO121
D	VAL122
D	ASP123
D	LEU124
D	LYS160
D	SER162
D	VAL163
D	GLY164
D	ASP305
D	VAL327
D	PHE328
D	ARG331
D	LEU370
D	HOH622
D	HOH655

site_id	AC5
Number of Residues	23
Details	BINDING SITE FOR RESIDUE EPZ E 501

Chain	Residue
E	VAL327
E	PHE328
E	LEU370
E	ARG371
E	HOH601
E	HOH626
E	HOH638
E	HOH674
E	LYS22
E	ASN23
E	TRP95
E	ALA119
E	ARG120
E	PRO121
E	VAL122
E	ASP123
E	LEU124
E	LYS160
E	SER162
E	VAL163
E	GLY164
E	THR304
E	ASP305

site_id	AC6
Number of Residues	17
Details	BINDING SITE FOR RESIDUE EPZ F 501

Chain	Residue
F	LYS22
F	ASN23
F	ALA119
F	ARG120
F	PRO121
F	VAL122
F	ASP123
F	LEU124
F	HIS125
F	LYS160
F	SER162
F	VAL163
F	GLY164
F	THR304
F	ASP305
F	VAL327
F	PHE328

site_id	AC7
Number of Residues	18
Details	BINDING SITE FOR RESIDUE EPZ G 501

Chain	Residue
G	LYS22
G	ASN23
G	TRP95
G	ALA119
G	ARG120
G	PRO121
G	VAL122
G	ASP123
G	LEU124
G	SER162
G	VAL163
G	GLY164
G	THR304
G	ASP305
G	VAL327
G	ARG331
G	LEU370
G	HOH613

site_id	AC8
Number of Residues	20
Details	BINDING SITE FOR RESIDUE EPZ H 501

Chain	Residue
H	LYS22
H	ASN23
H	ALA119
H	ARG120
H	PRO121
H	VAL122
H	ASP123
H	LEU124
H	LYS160
H	VAL161
H	SER162
H	VAL163
H	GLY164
H	ASP305
H	VAL327
H	PHE328
H	LEU370
H	HOH607
H	HOH621
H	HOH642

site_id	AC9
Number of Residues	21
Details	BINDING SITE FOR RESIDUE EPZ I 501

Chain	Residue
I	LYS22
I	ASN23
I	TRP95
I	ALA119
I	ARG120
I	PRO121
I	VAL122
I	ASP123
I	LEU124
I	LYS160
I	VAL161
I	SER162
I	VAL163
I	GLY164
I	THR304
I	ASP305
I	VAL327
I	PHE328
I	ARG331
I	LEU370
I	HOH621

site_id	BC1
Number of Residues	22
Details	BINDING SITE FOR RESIDUE EPZ J 501

Chain	Residue
J	LYS22
J	ASN23
J	ALA92
J	TRP95
J	ALA119
J	ARG120
J	PRO121
J	VAL122
J	ASP123
J	LEU124
J	HIS125
J	LYS160
J	SER162
J	VAL163
J	GLY164
J	ASP305
J	VAL327
J	PHE328
J	LEU370
J	HOH613
J	HOH626
J	HOH637

site_id	BC2
Number of Residues	22
Details	BINDING SITE FOR RESIDUE EPZ K 501

Chain	Residue
K	LYS22
K	ASN23
K	ALA119
K	ARG120
K	PRO121
K	VAL122
K	ASP123
K	LEU124
K	HIS125
K	SER162
K	VAL163
K	GLY164
K	THR304
K	ASP305
K	VAL327
K	PHE328
K	LEU370
K	HOH610
K	HOH611
K	HOH612
K	HOH637
K	HOH638

site_id	BC3
Number of Residues	18
Details	BINDING SITE FOR RESIDUE EPZ L 501

Chain	Residue
L	LYS22
L	ASN23
L	ALA119
L	ARG120
L	PRO121
L	VAL122
L	ASP123
L	LEU124
L	LYS160
L	VAL161
L	SER162
L	VAL163
L	GLY164
L	ASP305
L	VAL327
L	PHE328
L	LEU370
L	ARG371

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	ACT_SITE: Proton donor => ECO:0000269\|PubMed:20392080, ECO:0000269\|PubMed:8994972, ECO:0000305\|PubMed:22378791, ECO:0007744\|PDB:1UAE, ECO:0007744\|PDB:3KR6

Chain	Residue	Details
A	QPA115
J	QPA115
K	QPA115
L	QPA115
B	QPA115
C	QPA115
D	QPA115
E	QPA115
F	QPA115
G	QPA115
H	QPA115
I	QPA115

site_id	SWS_FT_FI2
Number of Residues	12
Details	BINDING: BINDING => ECO:0000305\|PubMed:20392080, ECO:0000305\|PubMed:22378791, ECO:0007744\|PDB:3KR6, ECO:0007744\|PDB:3SWD

Chain	Residue	Details
A	LYS22
J	LYS22
K	LYS22
L	LYS22
B	LYS22
C	LYS22
D	LYS22
E	LYS22
F	LYS22
G	LYS22
H	LYS22
I	LYS22

site_id	SWS_FT_FI3
Number of Residues	24
Details	BINDING: BINDING => ECO:0000269\|PubMed:20392080, ECO:0007744\|PDB:3KR6

Chain	Residue	Details
A	ARG91
E	VAL327
F	ARG91
F	VAL327
G	ARG91
G	VAL327
H	ARG91
H	VAL327
I	ARG91
I	VAL327
J	ARG91
A	VAL327
J	VAL327
K	ARG91
K	VAL327
L	ARG91
L	VAL327
B	ARG91
B	VAL327
C	ARG91
C	VAL327
D	ARG91
D	VAL327
E	ARG91

site_id	SWS_FT_FI4
Number of Residues	36
Details	BINDING: BINDING => ECO:0000269\|PubMed:20392080, ECO:0000269\|PubMed:22378791, ECO:0007744\|PDB:3KR6

Chain	Residue	Details
A	ARG120
D	ARG120
D	LYS160
D	ASP305
E	ARG120
E	LYS160
E	ASP305
F	ARG120
F	LYS160
F	ASP305
G	ARG120
A	LYS160
G	LYS160
G	ASP305
H	ARG120
H	LYS160
H	ASP305
I	ARG120
I	LYS160
I	ASP305
J	ARG120
J	LYS160
A	ASP305
J	ASP305
K	ARG120
K	LYS160
K	ASP305
L	ARG120
L	LYS160
L	ASP305
B	ARG120
B	LYS160
B	ASP305
C	ARG120
C	LYS160
C	ASP305

site_id	SWS_FT_FI5
Number of Residues	12
Details	MOD_RES: 2-(S-cysteinyl)pyruvic acid O-phosphothioketal => ECO:0000305\|PubMed:22378791

Chain	Residue	Details
A	QPA115
J	QPA115
K	QPA115
L	QPA115
B	QPA115
C	QPA115
D	QPA115
E	QPA115
F	QPA115
G	QPA115
H	QPA115
I	QPA115

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