6P06

Ternary structure of the E52D mutant of ANT-4 with Neomycin and AMPCPP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0005524	molecular_function	ATP binding
A	0016740	molecular_function	transferase activity
A	0016779	molecular_function	nucleotidyltransferase activity
A	0046677	biological_process	response to antibiotic
B	0000166	molecular_function	nucleotide binding
B	0005524	molecular_function	ATP binding
B	0016740	molecular_function	transferase activity
B	0016779	molecular_function	nucleotidyltransferase activity
B	0046677	biological_process	response to antibiotic

Functional Information from PDB Data

site_id	AC1
Number of Residues	17
Details	binding site for residue NMY A 301

Chain	Residue
A	TYR37
A	CA303
A	HOH434
A	HOH465
A	HOH480
B	GLU141
B	GLU145
B	HOH405
B	HOH440
A	ASP52
A	GLU63
A	GLU67
A	GLU76
A	ASP80
A	TYR88
A	GLN102
A	APC302

---

site_id	AC2
Number of Residues	21
Details	binding site for residue APC A 302

Chain	Residue
A	TYR37
A	GLY38
A	SER39
A	ARG42
A	SER49
A	ASP50
A	ASP52
A	LEU98
A	THR99
A	GLN102
A	THR186
A	THR187
A	NMY301
A	CA303
A	CA304
A	HOH404
A	HOH405
A	HOH429
B	GLU145
B	LYS149
B	HOH426

---

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

Chain	Residue
A	ASP50
A	ASP52
A	NMY301
A	APC302
A	HOH408
B	GLU145

---

site_id	AC4
Number of Residues	4
Details	binding site for residue CA A 304

Chain	Residue
A	ASP50
A	ASP52
A	APC302
A	HOH409

---

site_id	AC5
Number of Residues	19
Details	binding site for residue NMY A 305

Chain	Residue
A	GLU141
A	GLU145
A	CA306
A	HOH402
A	HOH410
A	HOH411
A	HOH413
A	HOH436
A	HOH457
A	HOH458
B	TYR37
B	ASP52
B	GLU63
B	GLU67
B	GLU76
B	ASP80
B	TYR88
B	GLN102
B	APC301

---

site_id	AC6
Number of Residues	7
Details	binding site for residue CA A 306

Chain	Residue
A	GLU145
A	NMY305
B	ASP50
B	ASP52
B	APC301
B	CA302
B	HOH406

---

site_id	AC7
Number of Residues	24
Details	binding site for residue APC B 301

Chain	Residue
A	GLU145
A	LYS149
A	NMY305
A	CA306
A	HOH433
B	GLY38
B	SER39
B	ARG42
B	SER49
B	ASP50
B	ASP52
B	LEU98
B	THR99
B	GLY101
B	GLN102
B	THR187
B	CA302
B	HOH401
B	HOH403
B	HOH409
B	HOH425
B	HOH428
B	HOH433
B	HOH481

---

site_id	AC8
Number of Residues	6
Details	binding site for residue CA B 302

Chain	Residue
B	ASP50
B	ASP52
B	APC301
B	HOH401
B	HOH415
A	CA306

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	126
Details	Region: {"description":"N-terminal domain","evidences":[{"source":"PubMed","id":"7577914","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8218273","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	226
Details	Region: {"description":"C-terminal domain","evidences":[{"source":"PubMed","id":"7577914","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8218273","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"7577914","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PubMed","id":"7577914","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"1KNY","evidenceCode":"ECO:0000312"},{"source":"PDB","id":"6P06","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"38250052","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6NML","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6NMM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6NMN","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"21040710","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6UN8","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PDB","id":"6UN8","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"7577914","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1KNY","evidenceCode":"ECO:0000312"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"38250052","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6NMK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6NML","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6NMN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6P01","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6P04","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6UN8","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI10
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"7577914","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"1KNY","evidenceCode":"ECO:0000312"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 647

Chain	Residue	Details
A	ASP50	metal ligand
A	ASP52	metal ligand
A	GLU145	activator, proton acceptor, proton donor
A	LYS149	electrostatic stabiliser, polar interaction

---

site_id	MCSA2
Number of Residues	4
Details	M-CSA 647

Chain	Residue	Details
B	ASP50	metal ligand
B	ASP52	metal ligand
B	GLU145	activator, proton acceptor, proton donor
B	LYS149	electrostatic stabiliser, polar interaction

---