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 | 0008233 | molecular_function | peptidase activity |
| 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 | 0008233 | molecular_function | peptidase activity |
| 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 | 0008233 | molecular_function | peptidase activity |
| 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 | 0008233 | molecular_function | peptidase activity |
| 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 | 0008233 | molecular_function | peptidase activity |
| 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 | 0008233 | molecular_function | peptidase activity |
| 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 | 0008233 | molecular_function | peptidase activity |
| 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 | 0008233 | molecular_function | peptidase activity |
| 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 |
| A | LEU107-VAL116 | |
| B | 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 |
| A | ILE139-GLY178 | |
| B | 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 |
| B | ASP114 | |
| D | ASP114 | |
| F | ASP114 | |
| H | ASP114 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor => ECO:0000269|PubMed:9083113 |
| Chain | Residue | Details |
| B | GLU175 | |
| D | GLU175 | |
| F | GLU175 | |
| H | GLU175 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 20 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:9083113 |
| Chain | Residue | Details |
| B | HIS112 | |
| D | HIS385 | |
| F | HIS112 | |
| F | ASP141 | |
| F | GLU176 | |
| F | GLU200 | |
| F | HIS385 | |
| H | HIS112 | |
| H | ASP141 | |
| H | GLU176 | |
| H | GLU200 | |
| B | ASP141 | |
| H | HIS385 | |
| B | GLU176 | |
| B | GLU200 | |
| B | HIS385 | |
| D | HIS112 | |
| D | ASP141 | |
| D | GLU176 | |
| D | GLU200 |
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 |
