Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 6 |
Details | binding site for residue ZN A 401 |
Chain | Residue |
A | HIS188 |
A | GLU190 |
A | HIS276 |
A | N5J403 |
A | HOH504 |
A | HOH524 |
site_id | AC2 |
Number of Residues | 4 |
Details | binding site for residue ZN A 402 |
Chain | Residue |
A | CYS308 |
A | CYS234 |
A | HIS240 |
A | CYS306 |
site_id | AC3 |
Number of Residues | 11 |
Details | binding site for residue N5J A 403 |
Chain | Residue |
A | TYR132 |
A | TYR177 |
A | PHE185 |
A | HIS188 |
A | ASN198 |
A | LYS206 |
A | TRP208 |
A | LYS241 |
A | HIS276 |
A | ZN401 |
A | HOH504 |
site_id | AC4 |
Number of Residues | 6 |
Details | binding site for residue EDO A 404 |
Chain | Residue |
A | GLY170 |
A | GLU190 |
A | SER288 |
A | THR289 |
A | ASN290 |
A | HOH524 |
site_id | AC5 |
Number of Residues | 5 |
Details | binding site for residue EDO A 405 |
Chain | Residue |
A | THR83 |
A | SER230 |
A | HIS240 |
A | MET242 |
A | THR243 |
site_id | AC6 |
Number of Residues | 3 |
Details | binding site for residue EDO A 406 |
Chain | Residue |
A | LEU65 |
A | GLY138 |
A | THR139 |
site_id | AC7 |
Number of Residues | 5 |
Details | binding site for residue EDO A 407 |
Chain | Residue |
A | ILE150 |
A | GLY151 |
A | LEU153 |
A | ASN290 |
A | HOH506 |
site_id | AC8 |
Number of Residues | 4 |
Details | binding site for residue EDO A 408 |
Chain | Residue |
A | ASN9 |
A | PRO10 |
A | SER11 |
A | ALA12 |
site_id | AC9 |
Number of Residues | 7 |
Details | binding site for residue EDO A 409 |
Chain | Residue |
A | SER11 |
A | ALA12 |
A | ARG13 |
A | PRO212 |
A | PHE257 |
A | ASP258 |
A | HOH546 |
site_id | AD1 |
Number of Residues | 4 |
Details | binding site for residue EDO A 410 |
Chain | Residue |
A | ALA134 |
A | ASP135 |
A | LYS241 |
A | HOH503 |
site_id | AD2 |
Number of Residues | 5 |
Details | binding site for residue EDO A 411 |
Chain | Residue |
A | PRO50 |
A | LYS51 |
A | TRP53 |
A | TYR199 |
A | EDO415 |
site_id | AD3 |
Number of Residues | 4 |
Details | binding site for residue EDO A 412 |
Chain | Residue |
A | GLU235 |
A | ALA236 |
A | PHE237 |
A | LEU238 |
site_id | AD4 |
Number of Residues | 5 |
Details | binding site for residue EDO A 413 |
Chain | Residue |
A | LYS251 |
A | GLY254 |
A | ILE255 |
A | PHE257 |
A | EDO414 |
site_id | AD5 |
Number of Residues | 2 |
Details | binding site for residue EDO A 414 |
Chain | Residue |
A | PHE257 |
A | EDO413 |
site_id | AD6 |
Number of Residues | 2 |
Details | binding site for residue EDO A 415 |
Chain | Residue |
A | HIS201 |
A | EDO411 |
site_id | AD7 |
Number of Residues | 3 |
Details | binding site for residue DMS A 416 |
Chain | Residue |
A | TYR59 |
A | ARG98 |
A | PHE202 |
site_id | AD8 |
Number of Residues | 6 |
Details | binding site for residue DMS A 417 |
Chain | Residue |
A | LYS54 |
A | PRO55 |
A | ARG56 |
A | ALA57 |
A | GLU142 |
A | HIS144 |
site_id | AD9 |
Number of Residues | 6 |
Details | binding site for residue ZN B 401 |
Chain | Residue |
B | HIS188 |
B | GLU190 |
B | HIS276 |
B | N5J403 |
B | HOH540 |
B | HOH545 |
site_id | AE1 |
Number of Residues | 4 |
Details | binding site for residue ZN B 402 |
Chain | Residue |
B | CYS234 |
B | HIS240 |
B | CYS306 |
B | CYS308 |
site_id | AE2 |
Number of Residues | 11 |
Details | binding site for residue N5J B 403 |
Chain | Residue |
B | LYS241 |
B | HIS276 |
B | ZN401 |
B | HOH545 |
B | TYR132 |
B | TYR177 |
B | PHE185 |
B | HIS188 |
B | ASN198 |
B | LYS206 |
B | TRP208 |
site_id | AE3 |
Number of Residues | 5 |
Details | binding site for residue EDO B 404 |
Chain | Residue |
B | GLY170 |
B | GLU190 |
B | SER288 |
B | THR289 |
B | HOH540 |
site_id | AE4 |
Number of Residues | 3 |
Details | binding site for residue EDO B 405 |
Chain | Residue |
B | ASN9 |
B | PRO10 |
B | SER11 |
site_id | AE5 |
Number of Residues | 4 |
Details | binding site for residue EDO B 406 |
Chain | Residue |
B | PRO10 |
B | ALA12 |
B | GLU214 |
B | HIS215 |
site_id | AE6 |
Number of Residues | 7 |
Details | binding site for residue EDO B 407 |
Chain | Residue |
B | SER11 |
B | ALA12 |
B | ARG13 |
B | PRO212 |
B | PHE257 |
B | ASP258 |
B | HOH578 |
site_id | AE7 |
Number of Residues | 3 |
Details | binding site for residue EDO B 408 |
Chain | Residue |
B | PRO256 |
B | PHE257 |
B | EDO417 |
site_id | AE8 |
Number of Residues | 3 |
Details | binding site for residue EDO B 409 |
Chain | Residue |
B | LEU65 |
B | GLY138 |
B | THR139 |
site_id | AE9 |
Number of Residues | 5 |
Details | binding site for residue EDO B 410 |
Chain | Residue |
B | THR83 |
B | PHE227 |
B | SER230 |
B | HIS240 |
B | THR243 |
site_id | AF1 |
Number of Residues | 6 |
Details | binding site for residue EDO B 411 |
Chain | Residue |
B | ILE150 |
B | GLY151 |
B | ARG152 |
B | LEU153 |
B | ASN290 |
B | HOH520 |
site_id | AF2 |
Number of Residues | 3 |
Details | binding site for residue EDO B 412 |
Chain | Residue |
B | LEU8 |
B | ASN9 |
B | GLN37 |
site_id | AF3 |
Number of Residues | 3 |
Details | binding site for residue EDO B 413 |
Chain | Residue |
B | GLU23 |
B | ARG29 |
B | HOH583 |
site_id | AF4 |
Number of Residues | 7 |
Details | binding site for residue EDO B 414 |
Chain | Residue |
B | ASN86 |
B | ALA134 |
B | ASP135 |
B | SER184 |
B | LYS241 |
B | HOH507 |
B | HOH628 |
site_id | AF5 |
Number of Residues | 5 |
Details | binding site for residue EDO B 415 |
Chain | Residue |
B | HIS188 |
B | THR189 |
B | ASP191 |
B | ARG239 |
B | HOH598 |
site_id | AF6 |
Number of Residues | 6 |
Details | binding site for residue EDO B 416 |
Chain | Residue |
B | LYS224 |
B | GLU235 |
B | ALA236 |
B | PHE237 |
B | LEU238 |
B | HOH591 |
site_id | AF7 |
Number of Residues | 5 |
Details | binding site for residue EDO B 417 |
Chain | Residue |
B | LYS251 |
B | GLY254 |
B | ILE255 |
B | PRO256 |
B | EDO408 |
site_id | AF8 |
Number of Residues | 1 |
Details | binding site for residue DMS B 418 |
site_id | AF9 |
Number of Residues | 6 |
Details | binding site for residue ZN C 401 |
Chain | Residue |
C | HIS188 |
C | GLU190 |
C | HIS276 |
C | N5J403 |
C | HOH536 |
C | HOH561 |
site_id | AG1 |
Number of Residues | 4 |
Details | binding site for residue ZN C 402 |
Chain | Residue |
C | CYS234 |
C | HIS240 |
C | CYS306 |
C | CYS308 |
site_id | AG2 |
Number of Residues | 11 |
Details | binding site for residue N5J C 403 |
Chain | Residue |
C | TYR132 |
C | TYR177 |
C | PHE185 |
C | HIS188 |
C | LYS206 |
C | LYS241 |
C | HIS276 |
C | ZN401 |
C | EDO410 |
C | HOH536 |
C | HOH561 |
site_id | AG3 |
Number of Residues | 6 |
Details | binding site for residue EDO C 404 |
Chain | Residue |
C | GLY170 |
C | TYR177 |
C | GLU190 |
C | SER288 |
C | THR289 |
C | HOH536 |
site_id | AG4 |
Number of Residues | 3 |
Details | binding site for residue EDO C 405 |
Chain | Residue |
C | THR83 |
C | PHE227 |
C | THR243 |
site_id | AG5 |
Number of Residues | 2 |
Details | binding site for residue EDO C 406 |
Chain | Residue |
C | GLY138 |
C | THR139 |
site_id | AG6 |
Number of Residues | 8 |
Details | binding site for residue EDO C 407 |
Chain | Residue |
C | SER11 |
C | ALA12 |
C | ARG13 |
C | PRO212 |
C | PHE257 |
C | ASP258 |
C | HOH531 |
C | HOH556 |
site_id | AG7 |
Number of Residues | 3 |
Details | binding site for residue EDO C 408 |
Chain | Residue |
C | GLU23 |
C | TYR30 |
C | HOH527 |
site_id | AG8 |
Number of Residues | 6 |
Details | binding site for residue EDO C 409 |
Chain | Residue |
C | ILE150 |
C | GLY151 |
C | ARG152 |
C | LEU153 |
C | ASN290 |
C | HOH511 |
site_id | AG9 |
Number of Residues | 5 |
Details | binding site for residue EDO C 410 |
Chain | Residue |
C | ALA134 |
C | ASP135 |
C | LYS241 |
C | N5J403 |
C | HOH515 |
site_id | AH1 |
Number of Residues | 3 |
Details | binding site for residue DMS C 411 |
Chain | Residue |
C | TYR59 |
C | ILE62 |
C | ARG98 |
site_id | AH2 |
Number of Residues | 6 |
Details | binding site for residue ZN D 401 |
Chain | Residue |
D | HIS188 |
D | GLU190 |
D | HIS276 |
D | N5J403 |
D | HOH528 |
D | HOH530 |
site_id | AH3 |
Number of Residues | 4 |
Details | binding site for residue ZN D 402 |
Chain | Residue |
D | CYS234 |
D | HIS240 |
D | CYS306 |
D | CYS308 |
site_id | AH4 |
Number of Residues | 12 |
Details | binding site for residue N5J D 403 |
Chain | Residue |
D | TYR132 |
D | TYR177 |
D | PHE185 |
D | HIS188 |
D | ASN198 |
D | LYS206 |
D | TRP208 |
D | LYS241 |
D | HIS276 |
D | ZN401 |
D | HOH528 |
D | HOH530 |
site_id | AH5 |
Number of Residues | 7 |
Details | binding site for residue EDO D 404 |
Chain | Residue |
D | LYS224 |
D | GLU235 |
D | ALA236 |
D | PHE237 |
D | LEU238 |
D | HOH519 |
D | HOH601 |
site_id | AH6 |
Number of Residues | 1 |
Details | binding site for residue EDO D 405 |
site_id | AH7 |
Number of Residues | 6 |
Details | binding site for residue EDO D 406 |
Chain | Residue |
D | THR83 |
D | PHE227 |
D | SER230 |
D | PHE237 |
D | THR243 |
D | HOH598 |
site_id | AH8 |
Number of Residues | 7 |
Details | binding site for residue EDO D 407 |
Chain | Residue |
D | SER11 |
D | ALA12 |
D | ARG13 |
D | PRO212 |
D | PHE257 |
D | ASP258 |
D | HOH564 |
site_id | AH9 |
Number of Residues | 4 |
Details | binding site for residue EDO D 408 |
Chain | Residue |
D | SER11 |
D | GLU214 |
D | HIS215 |
D | HOH623 |
site_id | AI1 |
Number of Residues | 4 |
Details | binding site for residue EDO D 409 |
Chain | Residue |
D | LYS251 |
D | GLY254 |
D | ILE255 |
D | EDO411 |
site_id | AI2 |
Number of Residues | 4 |
Details | binding site for residue EDO D 410 |
Chain | Residue |
A | GLU161 |
A | LYS162 |
D | ARG56 |
D | ASP61 |
site_id | AI3 |
Number of Residues | 2 |
Details | binding site for residue EDO D 411 |
Chain | Residue |
D | PHE257 |
D | EDO409 |
site_id | AI4 |
Number of Residues | 4 |
Details | binding site for residue EDO D 412 |
Chain | Residue |
D | GLU23 |
D | ARG29 |
D | PHE353 |
D | HOH520 |
site_id | AI5 |
Number of Residues | 6 |
Details | binding site for residue EDO D 413 |
Chain | Residue |
D | ALA134 |
D | ASP135 |
D | SER184 |
D | LYS241 |
D | HOH545 |
D | HOH560 |
site_id | AI6 |
Number of Residues | 2 |
Details | binding site for residue DMS D 414 |
Functional Information from SwissProt/UniProt
Chain | Residue | Details |
A | TYR132 | |
D | TYR132 | |
D | ASN198 | |
D | LYS206 | |
A | ASN198 | |
A | LYS206 | |
B | TYR132 | |
B | ASN198 | |
B | LYS206 | |
C | TYR132 | |
C | ASN198 | |
C | LYS206 | |
Chain | Residue | Details |
A | HIS188 | |
A | HIS276 | |
B | HIS188 | |
B | HIS276 | |
C | HIS188 | |
C | HIS276 | |
D | HIS188 | |
D | HIS276 | |
Chain | Residue | Details |
A | GLU190 | |
B | GLU190 | |
C | GLU190 | |
D | GLU190 | |
Chain | Residue | Details |
A | CYS234 | |
C | HIS240 | |
C | CYS306 | |
C | CYS308 | |
D | CYS234 | |
D | HIS240 | |
D | CYS306 | |
D | CYS308 | |
A | HIS240 | |
A | CYS306 | |
A | CYS308 | |
B | CYS234 | |
B | HIS240 | |
B | CYS306 | |
B | CYS308 | |
C | CYS234 | |
Chain | Residue | Details |
A | LYS241 | |
B | LYS241 | |
C | LYS241 | |
D | LYS241 | |
Chain | Residue | Details |
A | ALA2 | |
B | ALA2 | |
C | ALA2 | |
D | ALA2 | |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 6 |
Details | M-CSA 370 |
Chain | Residue | Details |
A | GLY170 | hydrogen bond acceptor, steric role |
A | TYR177 | hydrogen bond donor, steric role |
A | HIS188 | metal ligand |
A | GLU190 | attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role |
A | HIS276 | metal ligand |
A | SER288 | hydrogen bond donor, steric role |
site_id | MCSA2 |
Number of Residues | 6 |
Details | M-CSA 370 |
Chain | Residue | Details |
B | GLY170 | hydrogen bond acceptor, steric role |
B | TYR177 | hydrogen bond donor, steric role |
B | HIS188 | metal ligand |
B | GLU190 | attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role |
B | HIS276 | metal ligand |
B | SER288 | hydrogen bond donor, steric role |
site_id | MCSA3 |
Number of Residues | 6 |
Details | M-CSA 370 |
Chain | Residue | Details |
C | GLY170 | hydrogen bond acceptor, steric role |
C | TYR177 | hydrogen bond donor, steric role |
C | HIS188 | metal ligand |
C | GLU190 | attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role |
C | HIS276 | metal ligand |
C | SER288 | hydrogen bond donor, steric role |
site_id | MCSA4 |
Number of Residues | 6 |
Details | M-CSA 370 |
Chain | Residue | Details |
D | GLY170 | hydrogen bond acceptor, steric role |
D | TYR177 | hydrogen bond donor, steric role |
D | HIS188 | metal ligand |
D | GLU190 | attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role |
D | HIS276 | metal ligand |
D | SER288 | hydrogen bond donor, steric role |