3KGQ

Carboxypeptidase A liganded to an organic small-molecule: conformational changes

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004181	molecular_function	metallocarboxypeptidase activity
A	0006508	biological_process	proteolysis
A	0008270	molecular_function	zinc ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 401

Chain	Residue
A	HIS69
A	GLU72
A	HIS196
A	CIT310

---

site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA A 402

Chain	Residue
A	LEU15
A	HIS120

---

site_id	AC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE CIT A 310

Chain	Residue
A	ASN144
A	ARG145
A	HIS196
A	SER197
A	TYR248
A	ALA250
A	GLU270
A	ZN401
A	HOH431
A	HOH535
A	HIS69
A	GLU72
A	ARG127

---

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ACN A 311

Chain	Residue
A	GLN37
A	ARG40

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FMT A 312

Chain	Residue
A	ILE244
A	THR245
A	ILE247
A	HOH414

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FMT A 313

Chain	Residue
A	SER199
A	GLN200
A	LEU201
A	SER237
A	LYS239
A	HOH502

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE FMT A 314

Chain	Residue
A	TYR206
A	LEU280
A	HOH474

---

site_id	AC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 315

Chain	Residue
A	ASN8
A	VAL183
A	GLY187
A	ASN188
A	PHE189
A	GLN261
A	ILE263
A	HOH514

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 317

Chain	Residue
A	TYR9
A	TRP81
A	LYS85
A	GLU88
A	HOH518

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 318

Chain	Residue
A	GLU43
A	GOL319
A	HOH326

---

site_id	BC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL A 319

Chain	Residue
A	GLU43
A	GOL318

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 320

Chain	Residue
A	TYR12
A	ARG124
A	LEU280
A	LEU281

---

Functional Information from PROSITE/UniProt

site_id	PS00132
Number of Residues	23
Details	CARBOXYPEPT_ZN_1 Zinc carboxypeptidases, zinc-binding region 1 signature. PaIwIdlGiHSrEwITQatgvwF

Chain	Residue	Details
A	PRO60-PHE82

---

site_id	PS00133
Number of Residues	11
Details	CARBOXYPEPT_ZN_2 Zinc carboxypeptidases, zinc-binding region 2 signature. HSYSQLLlYPY

Chain	Residue	Details
A	HIS196-TYR206

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	293
Details	Domain: {"description":"Peptidase M14","evidences":[{"source":"PROSITE-ProRule","id":"PRU01379","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU01379","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	7
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12431056","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1IY7","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01379","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12431056","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1IY7","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 171

Chain	Residue	Details
A	HIS69	metal ligand
A	GLU72	metal ligand
A	ARG127	electrostatic stabiliser, hydrogen bond donor
A	HIS196	metal ligand
A	GLU270	covalently attached, electrofuge, electrophile, hydrogen bond acceptor, hydrogen bond donor, nucleophile, proton acceptor, proton donor

---