6JKA

Crystal structure of metallo-beta-lactamse, IMP-1, in complex with a thiazole-bearing inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008270	molecular_function	zinc ion binding
A	0008800	molecular_function	beta-lactamase activity
A	0016787	molecular_function	hydrolase activity
A	0017001	biological_process	antibiotic catabolic process
A	0042597	cellular_component	periplasmic space
A	0046677	biological_process	response to antibiotic
A	0046872	molecular_function	metal ion binding
B	0008270	molecular_function	zinc ion binding
B	0008800	molecular_function	beta-lactamase activity
B	0016787	molecular_function	hydrolase activity
B	0017001	biological_process	antibiotic catabolic process
B	0042597	cellular_component	periplasmic space
B	0046677	biological_process	response to antibiotic
B	0046872	molecular_function	metal ion binding
C	0008270	molecular_function	zinc ion binding
C	0008800	molecular_function	beta-lactamase activity
C	0016787	molecular_function	hydrolase activity
C	0017001	biological_process	antibiotic catabolic process
C	0042597	cellular_component	periplasmic space
C	0046677	biological_process	response to antibiotic
C	0046872	molecular_function	metal ion binding
D	0008270	molecular_function	zinc ion binding
D	0008800	molecular_function	beta-lactamase activity
D	0016787	molecular_function	hydrolase activity
D	0017001	biological_process	antibiotic catabolic process
D	0042597	cellular_component	periplasmic space
D	0046677	biological_process	response to antibiotic
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue ZN A 301

Chain	Residue
A	HIS81
A	HIS83
A	HIS143
A	ZN302
A	BS0303
A	HOH444

---

site_id	AC2
Number of Residues	7
Details	binding site for residue ZN A 302

Chain	Residue
A	ZN301
A	BS0303
A	HOH444
A	HOH461
A	ASP85
A	CYS162
A	HIS201

---

site_id	AC3
Number of Residues	14
Details	binding site for residue BS0 A 303

Chain	Residue
A	TRP32
A	HIS83
A	SER84
A	HIS143
A	LYS165
A	GLY170
A	ASN171
A	HIS201
A	ZN301
A	ZN302
A	HOH444
A	HOH445
A	HOH461
C	GLU203

---

site_id	AC4
Number of Residues	5
Details	binding site for residue ZN B 301

Chain	Residue
B	ASP85
B	CYS162
B	HIS201
B	ZN302
B	BQU303

---

site_id	AC5
Number of Residues	5
Details	binding site for residue ZN B 302

Chain	Residue
B	HIS81
B	HIS83
B	HIS143
B	ZN301
B	BQU303

---

site_id	AC6
Number of Residues	15
Details	binding site for residue BQU B 303

Chain	Residue
B	TRP32
B	HIS81
B	HIS83
B	ASP85
B	HIS143
B	LYS165
B	PRO166
B	TYR167
B	GLY168
B	GLY170
B	ASN171
B	SER202
B	ZN301
B	ZN302
D	GLU203

---

site_id	AC7
Number of Residues	6
Details	binding site for residue ZN C 301

Chain	Residue
C	ASP85
C	CYS162
C	HIS201
C	ZN302
C	HOH469
C	HOH478

---

site_id	AC8
Number of Residues	5
Details	binding site for residue ZN C 302

Chain	Residue
C	HIS81
C	HIS83
C	HIS143
C	ZN301
C	HOH478

---

site_id	AC9
Number of Residues	12
Details	binding site for residue BS0 C 303

Chain	Residue
A	GLY31
A	TYR167
A	GLY168
A	GLN216
C	LYS12
C	GLU14
C	LEU16
C	VAL22
C	THR24
C	PHE26
C	HIS38
C	GLU203

---

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

Chain	Residue
D	ASP85
D	CYS162
D	HIS201
D	ZN302
D	HOH420
D	HOH428

---

site_id	AD2
Number of Residues	6
Details	binding site for residue ZN D 302

Chain	Residue
D	HIS81
D	HIS83
D	ASP85
D	HIS143
D	ZN301
D	HOH428

---

Functional Information from PROSITE/UniProt

site_id	PS00743
Number of Residues	20
Details	BETA_LACTAMASE_B_1 Beta-lactamases class B signature 1. IsSHfHSDstGGiewlnsr.S

Chain	Residue	Details
A	ILE78-SER97

---

site_id	PS00744
Number of Residues	13
Details	BETA_LACTAMASE_B_2 Beta-lactamases class B signature 2. PerkILfGgCFIK

Chain	Residue	Details
A	PRO153-LYS165

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	28
Details	BINDING: BINDING => ECO:0000269|PubMed:26482303

Chain	Residue	Details
A	HIS81
B	ASP85
B	HIS143
B	CYS162
B	LYS165
B	HIS201
C	HIS81
C	HIS83
C	ASP85
C	HIS143
C	CYS162
A	HIS83
C	LYS165
C	HIS201
D	HIS81
D	HIS83
D	ASP85
D	HIS143
D	CYS162
D	LYS165
D	HIS201
A	ASP85
A	HIS143
A	CYS162
A	LYS165
A	HIS201
B	HIS81
B	HIS83

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: BINDING => ECO:0000250|UniProtKB:P25910

Chain	Residue	Details
A	ASN171
B	ASN171
C	ASN171
D	ASN171

---