6TGD

Crystal structure of NDM-1 in complex with triazole-based inhibitor OP31

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008800	molecular_function	beta-lactamase activity
A	0017001	biological_process	antibiotic catabolic process
A	0046872	molecular_function	metal ion binding
B	0008800	molecular_function	beta-lactamase activity
B	0017001	biological_process	antibiotic catabolic process
B	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue ZN A 301

Chain	Residue
A	HIS120
A	HIS122
A	HIS189
A	N8Q305

---

site_id	AC2
Number of Residues	4
Details	binding site for residue ZN A 302

Chain	Residue
A	ASP124
A	CYS208
A	HIS250
A	N8Q305

---

site_id	AC3
Number of Residues	6
Details	binding site for residue CA A 303

Chain	Residue
A	ASP223
A	HOH544
B	GLU227
B	HOH477
B	HOH527
A	GLU152

---

site_id	AC4
Number of Residues	6
Details	binding site for residue CA A 304

Chain	Residue
A	ASP95
A	ASP130
A	HOH427
A	HOH470
A	HOH519
A	HOH531

---

site_id	AC5
Number of Residues	12
Details	binding site for residue N8Q A 305

Chain	Residue
A	MET67
A	HIS122
A	GLN123
A	ASP124
A	HIS189
A	ASN220
A	HIS250
A	ZN301
A	ZN302
A	HOH490
B	GLY69
B	PHE70

---

site_id	AC6
Number of Residues	4
Details	binding site for residue ZN B 301

Chain	Residue
B	HIS120
B	HIS122
B	HIS189
B	N8Q305

---

site_id	AC7
Number of Residues	4
Details	binding site for residue ZN B 302

Chain	Residue
B	ASP124
B	CYS208
B	HIS250
B	N8Q305

---

site_id	AC8
Number of Residues	5
Details	binding site for residue CA B 303

Chain	Residue
B	ASP95
B	ASP130
B	HOH424
B	HOH464
B	HOH561

---

site_id	AC9
Number of Residues	6
Details	binding site for residue CA B 304

Chain	Residue
A	GLU227
A	HOH403
B	GLU152
B	ASP223
B	HOH498
B	HOH541

---

site_id	AD1
Number of Residues	10
Details	binding site for residue N8Q B 305

Chain	Residue
A	GLY69
B	HIS122
B	GLN123
B	ASP124
B	HIS189
B	CYS208
B	HIS250
B	ZN301
B	ZN302
B	HOH479

---