Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4BEN

R39-imipenem Acyl-enzyme crystal structure

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000270	biological_process	peptidoglycan metabolic process
A	0004180	molecular_function	carboxypeptidase activity
A	0004185	molecular_function	serine-type carboxypeptidase activity
A	0005576	cellular_component	extracellular region
A	0006508	biological_process	proteolysis
A	0008233	molecular_function	peptidase activity
A	0008360	biological_process	regulation of cell shape
A	0009002	molecular_function	serine-type D-Ala-D-Ala carboxypeptidase activity
A	0009252	biological_process	peptidoglycan biosynthetic process
A	0016787	molecular_function	hydrolase activity
A	0046677	biological_process	response to antibiotic
A	0071555	biological_process	cell wall organization
B	0000270	biological_process	peptidoglycan metabolic process
B	0004180	molecular_function	carboxypeptidase activity
B	0004185	molecular_function	serine-type carboxypeptidase activity
B	0005576	cellular_component	extracellular region
B	0006508	biological_process	proteolysis
B	0008233	molecular_function	peptidase activity
B	0008360	biological_process	regulation of cell shape
B	0009002	molecular_function	serine-type D-Ala-D-Ala carboxypeptidase activity
B	0009252	biological_process	peptidoglycan biosynthetic process
B	0016787	molecular_function	hydrolase activity
B	0046677	biological_process	response to antibiotic
B	0071555	biological_process	cell wall organization
C	0000270	biological_process	peptidoglycan metabolic process
C	0004180	molecular_function	carboxypeptidase activity
C	0004185	molecular_function	serine-type carboxypeptidase activity
C	0005576	cellular_component	extracellular region
C	0006508	biological_process	proteolysis
C	0008233	molecular_function	peptidase activity
C	0008360	biological_process	regulation of cell shape
C	0009002	molecular_function	serine-type D-Ala-D-Ala carboxypeptidase activity
C	0009252	biological_process	peptidoglycan biosynthetic process
C	0016787	molecular_function	hydrolase activity
C	0046677	biological_process	response to antibiotic
C	0071555	biological_process	cell wall organization
D	0000270	biological_process	peptidoglycan metabolic process
D	0004180	molecular_function	carboxypeptidase activity
D	0004185	molecular_function	serine-type carboxypeptidase activity
D	0005576	cellular_component	extracellular region
D	0006508	biological_process	proteolysis
D	0008233	molecular_function	peptidase activity
D	0008360	biological_process	regulation of cell shape
D	0009002	molecular_function	serine-type D-Ala-D-Ala carboxypeptidase activity
D	0009252	biological_process	peptidoglycan biosynthetic process
D	0016787	molecular_function	hydrolase activity
D	0046677	biological_process	response to antibiotic
D	0071555	biological_process	cell wall organization

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 1467

Chain	Residue
A	HIS282
A	THR283
A	HOH2076
A	HOH2077
A	HOH2177
A	HOH2180

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 1468

Chain	Residue
A	ALA234
A	ARG236
A	HOH2166

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 1469

Chain	Residue
A	SER131
A	ARG133
A	LEU134

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 1470

Chain	Residue
A	GLY159
A	GLU160
A	ARG161
A	SO41476
A	HOH2123
A	HOH2129

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG A 610

Chain	Residue
A	GLU188
A	HIS247
A	GLU251

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 611

Chain	Residue
A	ALA402
A	VAL406
A	HIS462
A	GLN463
A	HOH2228

site_id	AC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL A 1471

Chain	Residue
A	GLY268
A	HOH2056

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 1466

Chain	Residue
B	ASP281
B	HIS282
B	THR283
B	HOH2066

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 1467

Chain	Residue
B	ALA234
B	ARG236
B	HOH2157
B	HOH2220
B	HOH2221

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 1468

Chain	Residue
B	SER131
B	ARG133
B	LEU134

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 1469

Chain	Residue
A	SO41475
B	GLY159
B	GLU160
B	ARG161
B	SO41472

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 1466

Chain	Residue
C	HIS282
C	THR283
C	HOH2069
C	HOH2070

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 1467

Chain	Residue
C	ALA234
C	ARG236
C	HOH2166
C	HOH2235

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 1468

Chain	Residue
C	SER131
C	GLU132
C	ARG133
C	LEU134
C	HOH2236

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 1469

Chain	Residue
C	GLY159
C	GLU160
C	ARG161
C	SO41472
C	HOH2117

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 1467

Chain	Residue
D	HIS282
D	THR283
D	HOH2083
D	HOH2084
D	HOH2200

site_id	BC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 D 1468

Chain	Residue
D	ARG236
D	HOH2187

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 1469

Chain	Residue
D	SER131
D	ARG133
D	LEU134
D	HOH2267

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 1470

Chain	Residue
D	GLY159
D	GLU160
D	ARG161
D	SO41474
D	HOH2139

site_id	CC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG D 610

Chain	Residue
D	GLU188
D	HIS247
D	GLU251

site_id	CC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG D 611

Chain	Residue
D	VAL406
D	HIS462

site_id	CC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE GOL D 1471

Chain	Residue
D	GLY268

site_id	CC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 1470

Chain	Residue
C	HIS158
C	GLY159
C	SO41472

site_id	CC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 1472

Chain	Residue
D	ASN195
D	HOH2161
D	HOH2166

site_id	CC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 1470

Chain	Residue
B	SER38
B	ARG39
B	ASP40
B	HOH2018

site_id	CC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 1472

Chain	Residue
A	ASP130
A	SER131

site_id	CC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 1473

Chain	Residue
A	HOH2040
A	GLY70
A	ARG93

site_id	DC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 1473

Chain	Residue
D	GLY70
D	ARG93
D	HOH2045

site_id	DC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 1474

Chain	Residue
A	ARG39
A	ASP40
A	HOH2020

site_id	DC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 1471

Chain	Residue
B	HIS158
B	GLY159
B	SO41472

site_id	DC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 1475

Chain	Residue
A	SER204
A	ALA205
B	SO41469
B	SO41472

site_id	DC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 C 1471

Chain	Residue
C	ASP40
C	HOH2020

site_id	DC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 1474

Chain	Residue
D	HIS158
D	GLU168
D	SO41470
D	HOH2152
D	HOH2268

site_id	DC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 1476

Chain	Residue
A	HIS158
A	GLU168
A	SO41470

site_id	DC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 B 1472

Chain	Residue
A	GLY203
A	SO41475
B	HIS158
B	GLU168
B	LEU235
B	SO41469
B	SO41471

site_id	DC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 1472

Chain	Residue
C	HIS158
C	GLU168
C	LEU235
C	SO41469
C	SO41470

site_id	EC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE MES D 1475

Chain	Residue
D	GLY368
D	GLN374
D	TRP376
D	SER377
D	GLU408
D	TYR423
D	GLU430
D	HOH2256

site_id	EC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 1477

Chain	Residue
A	HIS158
A	GLY159
A	HOH2066
A	HOH2067

site_id	EC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 1478

Chain	Residue
A	ALA229
A	ALA230

site_id	EC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 1473

Chain	Residue
B	TRP139
B	SER415
B	HOH2204

site_id	EC5
Number of Residues	12
Details	Binding site for Ligand IM2 A 500 bound to SER A 49

Chain	Residue
A	ALA48
A	SER49
A	SER298
A	ASN300
A	LEU349
A	THR393
A	LYS410
A	THR411
A	GLY412
A	THR413
A	MET414
A	HOH2241

site_id	EC6
Number of Residues	10
Details	Binding site for Ligand IM2 B 500 bound to SER B 49

Chain	Residue
B	SER49
B	SER298
B	ASN300
B	LEU349
B	THR393
B	LYS410
B	THR411
B	GLY412
B	THR413
B	HOH2219

site_id	EC7
Number of Residues	11
Details	Binding site for Ligand IM2 C 500 bound to SER C 49

Chain	Residue
C	SER49
C	SER298
C	ASN300
C	LEU349
C	THR393
C	LYS410
C	THR411
C	GLY412
C	THR413
C	HOH2218
C	HOH2233

site_id	EC8
Number of Residues	10
Details	Binding site for Ligand IM2 D 500 bound to SER D 49

Chain	Residue
D	ALA48
D	SER49
D	SER298
D	ASN300
D	LEU349
D	LYS410
D	THR411
D	GLY412
D	THR413
D	HOH2033

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	692
Details	Region: {"description":"Absent in class-A beta-lactamases"}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"Acyl-ester intermediate"}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	4
Details	Active site: {"description":"Proton acceptor"}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	4
Details	Active site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	4
Details	Binding site: {}

Chain

Residue

Details

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