7LAN
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-30 AKA 7-[(3~{S},4~{R},6~{R})-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1^{3,6}.1^{11,14}]docosa-1(19),11(21),12,16(20),17-pentaen-10-yl]-3~{H}-triazolo[4,5-b]pyridin-5-amine
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004601 | molecular_function | peroxidase activity |
A | 0006979 | biological_process | response to oxidative stress |
A | 0020037 | molecular_function | heme binding |
B | 0004601 | molecular_function | peroxidase activity |
B | 0006979 | biological_process | response to oxidative stress |
B | 0020037 | molecular_function | heme binding |
D | 0004601 | molecular_function | peroxidase activity |
D | 0006979 | biological_process | response to oxidative stress |
D | 0020037 | molecular_function | heme binding |
E | 0004601 | molecular_function | peroxidase activity |
E | 0006979 | biological_process | response to oxidative stress |
E | 0020037 | molecular_function | heme binding |
F | 0004601 | molecular_function | peroxidase activity |
F | 0006979 | biological_process | response to oxidative stress |
F | 0020037 | molecular_function | heme binding |
G | 0004601 | molecular_function | peroxidase activity |
G | 0006979 | biological_process | response to oxidative stress |
G | 0020037 | molecular_function | heme binding |
H | 0004601 | molecular_function | peroxidase activity |
H | 0006979 | biological_process | response to oxidative stress |
H | 0020037 | molecular_function | heme binding |
I | 0004601 | molecular_function | peroxidase activity |
I | 0006979 | biological_process | response to oxidative stress |
I | 0020037 | molecular_function | heme binding |
Functional Information from PROSITE/UniProt
site_id | PS00435 |
Number of Residues | 11 |
Details | PEROXIDASE_1 Peroxidases proximal heme-ligand signature. EMPELTSMHTL |
Chain | Residue | Details |
B | GLU242-LEU252 | |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 4 |
Details | ACT_SITE: Proton acceptor |
Chain | Residue | Details |
B | MET190 | |
E | MET190 | |
G | MET190 | |
I | MET190 | |
Chain | Residue | Details |
B | ASN189 | |
I | ASN189 | |
I | THR337 | |
I | LEU338 | |
B | THR337 | |
B | LEU338 | |
E | ASN189 | |
E | THR337 | |
E | LEU338 | |
G | ASN189 | |
G | THR337 | |
G | LEU338 | |
site_id | SWS_FT_FI3 |
Number of Residues | 4 |
Details | BINDING: |
Chain | Residue | Details |
B | SER191 | |
E | SER191 | |
G | SER191 | |
I | SER191 | |
Chain | Residue | Details |
B | GLU263 | |
G | LYS265 | |
G | LEU267 | |
G | PRO269 | |
I | GLU263 | |
I | LYS265 | |
I | LEU267 | |
I | PRO269 | |
B | LYS265 | |
B | LEU267 | |
B | PRO269 | |
E | GLU263 | |
E | LYS265 | |
E | LEU267 | |
E | PRO269 | |
G | GLU263 | |
Chain | Residue | Details |
B | PRO431 | |
E | PRO431 | |
G | PRO431 | |
I | PRO431 | |
site_id | SWS_FT_FI6 |
Number of Residues | 4 |
Details | SITE: Transition state stabilizer |
Chain | Residue | Details |
B | TYR334 | |
E | TYR334 | |
G | TYR334 | |
I | TYR334 | |
Chain | Residue | Details |
B | GLU245 | |
E | GLU245 | |
G | GLU245 | |
I | GLU245 | |
Chain | Residue | Details |
B | LEU252 | |
E | LEU252 | |
G | LEU252 | |
I | LEU252 | |
Chain | Residue | Details |
B | VAL284 | |
B | VAL320 | |
E | VAL284 | |
E | VAL320 | |
G | VAL284 | |
G | VAL320 | |
I | VAL284 | |
I | VAL320 | |
Chain | Residue | Details |
B | ARG412 | |
E | ARG412 | |
G | ARG412 | |
I | ARG412 | |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 2 |
Details | M-CSA 601 |
Chain | Residue | Details |
B | MET190 | proton shuttle (general acid/base) |
B | TYR334 | electrostatic stabiliser |
site_id | MCSA2 |
Number of Residues | 2 |
Details | M-CSA 601 |
Chain | Residue | Details |
E | MET190 | proton shuttle (general acid/base) |
E | TYR334 | electrostatic stabiliser |
site_id | MCSA3 |
Number of Residues | 2 |
Details | M-CSA 601 |
Chain | Residue | Details |
G | MET190 | proton shuttle (general acid/base) |
G | TYR334 | electrostatic stabiliser |
site_id | MCSA4 |
Number of Residues | 2 |
Details | M-CSA 601 |
Chain | Residue | Details |
I | MET190 | proton shuttle (general acid/base) |
I | TYR334 | electrostatic stabiliser |