Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6XJ5

Carboxypeptidase G2 modified with a versatile bioconjugate for metalloprotein design

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004180	molecular_function	carboxypeptidase activity
A	0006508	biological_process	proteolysis
A	0008237	molecular_function	metallopeptidase activity
A	0016787	molecular_function	hydrolase activity
A	0046872	molecular_function	metal ion binding
B	0004180	molecular_function	carboxypeptidase activity
B	0006508	biological_process	proteolysis
B	0008237	molecular_function	metallopeptidase activity
B	0016787	molecular_function	hydrolase activity
B	0046872	molecular_function	metal ion binding
C	0004180	molecular_function	carboxypeptidase activity
C	0006508	biological_process	proteolysis
C	0008237	molecular_function	metallopeptidase activity
C	0016787	molecular_function	hydrolase activity
C	0046872	molecular_function	metal ion binding
D	0004180	molecular_function	carboxypeptidase activity
D	0006508	biological_process	proteolysis
D	0008237	molecular_function	metallopeptidase activity
D	0016787	molecular_function	hydrolase activity
D	0046872	molecular_function	metal ion binding
E	0004180	molecular_function	carboxypeptidase activity
E	0006508	biological_process	proteolysis
E	0008237	molecular_function	metallopeptidase activity
E	0016787	molecular_function	hydrolase activity
E	0046872	molecular_function	metal ion binding
F	0004180	molecular_function	carboxypeptidase activity
F	0006508	biological_process	proteolysis
F	0008237	molecular_function	metallopeptidase activity
F	0016787	molecular_function	hydrolase activity
F	0046872	molecular_function	metal ion binding
G	0004180	molecular_function	carboxypeptidase activity
G	0006508	biological_process	proteolysis
G	0008237	molecular_function	metallopeptidase activity
G	0016787	molecular_function	hydrolase activity
G	0046872	molecular_function	metal ion binding
H	0004180	molecular_function	carboxypeptidase activity
H	0006508	biological_process	proteolysis
H	0008237	molecular_function	metallopeptidase activity
H	0016787	molecular_function	hydrolase activity
H	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 500

Chain	Residue
A	ASP141
A	GLU175
A	GLU176
A	HIS385
A	ZN501
A	HOH708

site_id	AC2
Number of Residues	6
Details	binding site for residue ZN A 501

Chain	Residue
A	GLU200
A	ZN500
A	HOH708
A	HIS112
A	ASP141
A	GLU175

site_id	AC3
Number of Residues	3
Details	binding site for residue ZN A 601

Chain	Residue
A	HIS229
A	HOH715
C	ASP387

site_id	AC4
Number of Residues	3
Details	binding site for residue ZN A 602

Chain	Residue
A	ASP59
A	LYS119
A	HOH701

site_id	AC5
Number of Residues	3
Details	binding site for residue ZN A 603

Chain	Residue
A	ASP29
A	HOH705
A	HOH707

site_id	AC6
Number of Residues	2
Details	binding site for residue ZN A 604

Chain	Residue
A	GLU71
E	GLU61

site_id	AC7
Number of Residues	2
Details	binding site for residue ZN A 605

Chain	Residue
A	GLU39
A	HOH713

site_id	AC8
Number of Residues	3
Details	binding site for residue ZN B 600

Chain	Residue
A	CYS203
A	ALA204
B	V44203

site_id	AC9
Number of Residues	5
Details	binding site for residue ZN B 500

Chain	Residue
B	ASP141
B	GLU175
B	GLU176
B	HIS385
B	ZN501

site_id	AD1
Number of Residues	5
Details	binding site for residue ZN B 501

Chain	Residue
B	HIS112
B	ASP141
B	GLU175
B	GLU200
B	ZN500

site_id	AD2
Number of Residues	2
Details	binding site for residue ZN B 601

Chain	Residue
B	HIS229
D	ASP387

site_id	AD3
Number of Residues	1
Details	binding site for residue ZN B 602

Chain	Residue
B	ASP59

site_id	AD4
Number of Residues	5
Details	binding site for residue ZN C 500

Chain	Residue
C	ASP141
C	GLU176
C	HIS385
C	ZN501
C	HOH701

site_id	AD5
Number of Residues	6
Details	binding site for residue ZN C 501

Chain	Residue
C	HIS112
C	ASP141
C	GLU175
C	GLU200
C	ZN500
C	HOH701

site_id	AD6
Number of Residues	3
Details	binding site for residue ZN C 601

Chain	Residue
A	ASP387
C	HIS229
C	HOH702

site_id	AD7
Number of Residues	4
Details	binding site for residue SO4 C 604

Chain	Residue
C	THR80
C	LYS100
E	GLU303
E	VAL318

site_id	AD8
Number of Residues	1
Details	binding site for residue ZN C 602

Chain	Residue
C	ASP59

site_id	AD9
Number of Residues	1
Details	binding site for residue ZN C 603

Chain	Residue
C	GLU71

site_id	AE1
Number of Residues	4
Details	binding site for residue SO4 C 605

Chain	Residue
C	PHE180
C	ARG183
C	THR321
C	ARG322

site_id	AE2
Number of Residues	3
Details	binding site for residue ZN D 600

Chain	Residue
C	CYS203
C	GLY205
D	V44203

site_id	AE3
Number of Residues	6
Details	binding site for residue ZN D 500

Chain	Residue
D	ASP141
D	GLU175
D	GLU176
D	HIS385
D	ZN501
D	HOH707

site_id	AE4
Number of Residues	6
Details	binding site for residue ZN D 501

Chain	Residue
D	HIS112
D	ASP141
D	GLU175
D	GLU200
D	ZN500
D	HOH707

site_id	AE5
Number of Residues	3
Details	binding site for residue ZN D 601

Chain	Residue
B	ASP387
D	HIS229
D	HOH704

site_id	AE6
Number of Residues	3
Details	binding site for residue ZN D 602

Chain	Residue
D	ARG183
D	ASP184
F	ASP93

site_id	AE7
Number of Residues	2
Details	binding site for residue ZN D 603

Chain	Residue
D	ASP59
D	HOH703

site_id	AE8
Number of Residues	3
Details	binding site for residue ZN D 604

Chain	Residue
D	GLU303
D	VAL318
D	HOH710

site_id	AE9
Number of Residues	1
Details	binding site for residue ZN D 605

Chain	Residue
D	GLU293

site_id	AF1
Number of Residues	2
Details	binding site for residue ZN D 606

Chain	Residue
D	ASN260
D	ASP294

site_id	AF2
Number of Residues	5
Details	binding site for residue ZN E 500

Chain	Residue
E	ASP141
E	GLU175
E	GLU176
E	HIS385
E	ZN501

site_id	AF3
Number of Residues	5
Details	binding site for residue ZN E 501

Chain	Residue
E	HIS112
E	ASP141
E	GLU175
E	GLU200
E	ZN500

site_id	AF4
Number of Residues	3
Details	binding site for residue ZN E 601

Chain	Residue
E	HIS229
G	ASP387
G	HOH704

site_id	AF5
Number of Residues	3
Details	binding site for residue ZN E 602

Chain	Residue
C	ASP93
E	ARG183
E	ASP184

site_id	AF6
Number of Residues	5
Details	binding site for residue ZN E 603

Chain	Residue
E	ASP387
E	HOH701
G	HIS229
G	ASN275
G	HOH702

site_id	AF7
Number of Residues	2
Details	binding site for residue ZN E 604

Chain	Residue
E	ASP59
E	LYS119

site_id	AF8
Number of Residues	2
Details	binding site for residue ZN E 605

Chain	Residue
E	GLU293
E	HOH702

site_id	AF9
Number of Residues	1
Details	binding site for residue ZN E 606

Chain	Residue
E	GLU71

site_id	AG1
Number of Residues	3
Details	binding site for residue ZN F 600

Chain	Residue
E	CYS203
E	ALA204
F	V44203

site_id	AG2
Number of Residues	4
Details	binding site for residue ZN F 500

Chain	Residue
F	ASP141
F	GLU176
F	HIS385
F	ZN501

site_id	AG3
Number of Residues	5
Details	binding site for residue ZN F 501

Chain	Residue
F	HIS112
F	ASP141
F	GLU175
F	GLU200
F	ZN500

site_id	AG4
Number of Residues	3
Details	binding site for residue ZN F 601

Chain	Residue
F	HIS229
F	HOH713
H	ASP387

site_id	AG5
Number of Residues	2
Details	binding site for residue ZN F 602

Chain	Residue
F	ASP59
F	HOH701

site_id	AG6
Number of Residues	1
Details	binding site for residue ZN F 603

Chain	Residue
F	ASP29

site_id	AG7
Number of Residues	1
Details	binding site for residue ZN F 604

Chain	Residue
F	GLU71

site_id	AG8
Number of Residues	2
Details	binding site for residue ZN F 605

Chain	Residue
F	ASP255
F	ASN264

site_id	AG9
Number of Residues	1
Details	binding site for residue ZN F 606

Chain	Residue
F	GLU39

site_id	AH1
Number of Residues	6
Details	binding site for residue ZN G 500

Chain	Residue
G	ASP141
G	GLU175
G	GLU176
G	HIS385
G	ZN501
G	HOH705

site_id	AH2
Number of Residues	6
Details	binding site for residue ZN G 501

Chain	Residue
G	HIS112
G	ASP141
G	GLU175
G	GLU200
G	ZN500
G	HOH705

site_id	AH3
Number of Residues	1
Details	binding site for residue ZN G 601

Chain	Residue
G	ASP59

site_id	AH4
Number of Residues	3
Details	binding site for residue ZN H 600

Chain	Residue
G	CYS203
G	ALA204
H	V44203

site_id	AH5
Number of Residues	6
Details	binding site for residue ZN H 500

Chain	Residue
H	ASP141
H	GLU175
H	GLU176
H	HIS385
H	ZN501
H	HOH708

site_id	AH6
Number of Residues	6
Details	binding site for residue ZN H 501

Chain	Residue
H	HIS112
H	ASP141
H	GLU175
H	GLU200
H	ZN500
H	HOH708

site_id	AH7
Number of Residues	2
Details	binding site for residue ZN H 601

Chain	Residue
F	ASP387
H	HIS229

site_id	AH8
Number of Residues	1
Details	binding site for residue ZN H 602

Chain	Residue
H	ASP59

site_id	AH9
Number of Residues	3
Details	binding site for residue ZN H 603

Chain	Residue
D	GLU61
D	HOH701
H	GLU71

site_id	AI1
Number of Residues	2
Details	binding site for residue ZN H 604

Chain	Residue
H	ASP29
H	HOH710

site_id	AI2
Number of Residues	1
Details	binding site for residue ZN H 605

Chain	Residue
H	ASP294

site_id	AI3
Number of Residues	1
Details	binding site for residue ZN H 606

Chain	Residue
H	ASP163

site_id	AI4
Number of Residues	1
Details	binding site for residue ZN H 607

Chain	Residue
H	GLU39

site_id	AI5
Number of Residues	10
Details	binding site for Ligand residues V44 B 203 through ALA B 204 bound to THR B 202

Chain	Residue
A	CYS203
A	ALA204
B	THR202
B	GLY205
B	ASP206
B	GLU207
B	GLY381
B	PHE382
B	TYR384
B	ZN600

site_id	AI6
Number of Residues	12
Details	binding site for Ligand residues V44 D 203 through ALA D 204 bound to THR D 202

Chain	Residue
C	CYS203
C	GLY205
C	PHE382
C	TYR391
D	THR202
D	GLY205
D	ASP206
D	GLU207
D	GLY381
D	PHE382
D	TYR384
D	ZN600

site_id	AI7
Number of Residues	11
Details	binding site for Ligand residues V44 F 203 through ALA F 204 bound to THR F 202

Chain	Residue
E	CYS203
E	ALA204
E	PHE382
F	THR202
F	GLY205
F	ASP206
F	GLU207
F	GLY381
F	PHE382
F	TYR384
F	ZN600

site_id	AI8
Number of Residues	11
Details	binding site for Ligand residues V44 H 203 through ALA H 204 bound to THR H 202

Chain	Residue
G	ALA204
G	PHE382
G	TYR391
H	THR202
H	GLY205
H	ASP206
H	GLU207
H	GLY381
H	PHE382
H	TYR384
H	ZN600

Functional Information from PROSITE/UniProt

site_id	PS00758
Number of Residues	10
Details	ARGE_DAPE_CPG2_1 ArgE / dapE / ACY1 / CPG2 / yscS family signature 1. LLLMSHmDTV

Chain	Residue	Details
B	LEU107-VAL116
A	LEU107-VAL116

site_id	PS00759
Number of Residues	40
Details	ARGE_DAPE_CPG2_2 ArgE / dapE / ACY1 / CPG2 / yscS family signature 2. IADdKGgnAviLhtlkllkeygvrdygt.ItVLFntDEEkG

Chain	Residue	Details
B	ILE139-GLY178
A	ILE139-GLY178

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: ACT_SITE => ECO:0000250

Chain	Residue	Details
D	ASP114
F	ASP114
H	ASP114
B	ASP114

site_id	SWS_FT_FI2
Number of Residues	4
Details	ACT_SITE: Proton acceptor => ECO:0000269\|PubMed:9083113

Chain	Residue	Details
D	GLU175
F	GLU175
H	GLU175
B	GLU175

site_id	SWS_FT_FI3
Number of Residues	20
Details	BINDING: BINDING => ECO:0000269\|PubMed:9083113

Chain	Residue	Details
F	GLU176
F	GLU200
F	HIS385
H	HIS112
H	ASP141
H	GLU176
H	GLU200
H	HIS385
B	GLU200
B	HIS385
D	HIS112
D	ASP141
D	GLU176
D	GLU200
D	HIS385
F	HIS112
F	ASP141
B	HIS112
B	ASP141
B	GLU176

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	6
Details	M-CSA 447

Chain	Residue	Details
B	HIS112	metal ligand
B	ASP141	metal ligand
B	GLU175	proton shuttle (general acid/base)
B	GLU176	metal ligand
B	GLU200	metal ligand
B	HIS385	metal ligand

site_id	MCSA2
Number of Residues	6
Details	M-CSA 447

Chain	Residue	Details
D	HIS112	metal ligand
D	ASP141	metal ligand
D	GLU175	proton shuttle (general acid/base)
D	GLU176	metal ligand
D	GLU200	metal ligand
D	HIS385	metal ligand

site_id	MCSA3
Number of Residues	6
Details	M-CSA 447

Chain	Residue	Details
F	HIS112	metal ligand
F	ASP141	metal ligand
F	GLU175	proton shuttle (general acid/base)
F	GLU176	metal ligand
F	GLU200	metal ligand
F	HIS385	metal ligand

site_id	MCSA4
Number of Residues	6
Details	M-CSA 447

Chain	Residue	Details
H	HIS112	metal ligand
H	ASP141	metal ligand
H	GLU175	proton shuttle (general acid/base)
H	GLU176	metal ligand
H	GLU200	metal ligand
H	HIS385	metal ligand

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