6YI1
Crystal structure of human glutaminyl cyclase in complex with Glu(gamma-hydrazide)-Phe-Ala
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005515 | molecular_function | protein binding |
| A | 0005576 | cellular_component | extracellular region |
| A | 0008270 | molecular_function | zinc ion binding |
| A | 0016603 | molecular_function | glutaminyl-peptide cyclotransferase activity |
| A | 0016746 | molecular_function | acyltransferase activity |
| A | 0017186 | biological_process | peptidyl-pyroglutamic acid biosynthetic process, using glutaminyl-peptide cyclotransferase |
| A | 0035580 | cellular_component | specific granule lumen |
| A | 0036211 | biological_process | protein modification process |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0070062 | cellular_component | extracellular exosome |
| A | 1904724 | cellular_component | tertiary granule lumen |
| A | 1904813 | cellular_component | ficolin-1-rich granule lumen |
| B | 0005515 | molecular_function | protein binding |
| B | 0005576 | cellular_component | extracellular region |
| B | 0008270 | molecular_function | zinc ion binding |
| B | 0016603 | molecular_function | glutaminyl-peptide cyclotransferase activity |
| B | 0016746 | molecular_function | acyltransferase activity |
| B | 0017186 | biological_process | peptidyl-pyroglutamic acid biosynthetic process, using glutaminyl-peptide cyclotransferase |
| B | 0035580 | cellular_component | specific granule lumen |
| B | 0036211 | biological_process | protein modification process |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0070062 | cellular_component | extracellular exosome |
| B | 1904724 | cellular_component | tertiary granule lumen |
| B | 1904813 | cellular_component | ficolin-1-rich granule lumen |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 401 |
| Chain | Residue |
| A | ARG292 |
| A | ARG292 |
| A | ASN296 |
| A | ASN296 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 402 |
| Chain | Residue |
| A | ASP159 |
| A | GLU202 |
| A | HIS330 |
| C | ORT419 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 403 |
| Chain | Residue |
| A | HIS218 |
| A | LYS222 |
| A | HOH699 |
| A | ASP107 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue ZN A 404 |
| Chain | Residue |
| A | ASP286 |
| D | ORT422 |
| A | HOH505 |
| A | HOH677 |
| A | HOH711 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 405 |
| Chain | Residue |
| A | GLU269 |
| A | HIS276 |
| A | GLU280 |
| A | HOH501 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue ZN A 406 |
| Chain | Residue |
| A | GLU76 |
| A | HIS148 |
| A | HOH535 |
| A | HOH692 |
| A | HOH703 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 A 407 |
| Chain | Residue |
| A | ASN128 |
| A | PRO129 |
| A | THR130 |
| A | THR183 |
| A | HOH635 |
| A | HOH671 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 408 |
| Chain | Residue |
| A | ARG97 |
| A | ARG172 |
| A | HOH670 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 409 |
| Chain | Residue |
| A | ALA232 |
| A | ARG233 |
| A | GLY234 |
| A | HOH586 |
| site_id | AD1 |
| Number of Residues | 9 |
| Details | binding site for residue GOL A 410 |
| Chain | Residue |
| A | ASN263 |
| A | ARG266 |
| A | TRP329 |
| A | HIS330 |
| A | PEG416 |
| A | HOH545 |
| A | HOH583 |
| A | HOH587 |
| A | HOH588 |
| site_id | AD2 |
| Number of Residues | 9 |
| Details | binding site for residue GOL A 411 |
| Chain | Residue |
| A | ALA131 |
| A | LYS132 |
| A | ARG133 |
| A | HIS134 |
| A | GLN194 |
| A | HIS228 |
| A | GLN237 |
| A | GLY240 |
| A | HOH538 |
| site_id | AD3 |
| Number of Residues | 5 |
| Details | binding site for residue DIO A 412 |
| Chain | Residue |
| A | LEU110 |
| A | SER111 |
| A | GLN112 |
| A | TYR117 |
| B | ALA224 |
| site_id | AD4 |
| Number of Residues | 4 |
| Details | binding site for residue PG4 A 413 |
| Chain | Residue |
| A | LEU48 |
| A | SER50 |
| A | GLU277 |
| A | HOH685 |
| site_id | AD5 |
| Number of Residues | 8 |
| Details | binding site for residue PG4 A 414 |
| Chain | Residue |
| A | PHE260 |
| A | PHE261 |
| A | PRO262 |
| A | ALA265 |
| A | ARG266 |
| A | PRO324 |
| A | HOH642 |
| A | HOH653 |
| site_id | AD6 |
| Number of Residues | 6 |
| Details | binding site for residue PG4 A 415 |
| Chain | Residue |
| A | TRP207 |
| A | PRO209 |
| A | ARG217 |
| A | GLN304 |
| A | LEU311 |
| A | ARG312 |
| site_id | AD7 |
| Number of Residues | 6 |
| Details | binding site for residue PEG A 416 |
| Chain | Residue |
| A | ASN41 |
| A | TYR42 |
| A | GLN44 |
| A | ARG266 |
| A | GOL410 |
| A | HOH687 |
| site_id | AD8 |
| Number of Residues | 8 |
| Details | binding site for residue PEG A 417 |
| Chain | Residue |
| A | ASN41 |
| A | TYR42 |
| A | PHE146 |
| A | HIS330 |
| A | THR331 |
| A | MET332 |
| A | ASP333 |
| A | HOH587 |
| site_id | AD9 |
| Number of Residues | 5 |
| Details | binding site for residue PEG A 418 |
| Chain | Residue |
| A | TYR78 |
| A | TYR115 |
| A | ARG118 |
| A | TYR145 |
| A | HOH509 |
| site_id | AE1 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 B 401 |
| Chain | Residue |
| B | SER147 |
| B | SER147 |
| B | HIS148 |
| B | HIS148 |
| B | HOH510 |
| B | HOH510 |
| site_id | AE2 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 402 |
| Chain | Residue |
| B | ASP159 |
| B | GLU202 |
| B | HIS330 |
| E | ORT422 |
| site_id | AE3 |
| Number of Residues | 5 |
| Details | binding site for residue ZN B 403 |
| Chain | Residue |
| B | GLU76 |
| B | HIS148 |
| B | HOH510 |
| B | HOH664 |
| B | HOH664 |
| site_id | AE4 |
| Number of Residues | 5 |
| Details | binding site for residue ZN B 404 |
| Chain | Residue |
| B | LYS40 |
| B | HIS206 |
| B | SO4409 |
| B | HOH604 |
| B | HOH646 |
| site_id | AE5 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 405 |
| Chain | Residue |
| B | ASP107 |
| B | HIS218 |
| B | LYS222 |
| B | HOH652 |
| site_id | AE6 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 406 |
| Chain | Residue |
| B | HIS276 |
| B | GLU280 |
| B | HOH504 |
| B | HOH682 |
| site_id | AE7 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 B 407 |
| Chain | Residue |
| B | ARG97 |
| B | ARG172 |
| site_id | AE8 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 B 408 |
| Chain | Residue |
| A | ARG233 |
| B | ARG152 |
| B | MET332 |
| B | ASN335 |
| B | HOH539 |
| site_id | AE9 |
| Number of Residues | 9 |
| Details | binding site for residue SO4 B 409 |
| Chain | Residue |
| B | LYS40 |
| B | ASN41 |
| B | LYS144 |
| B | HIS206 |
| B | TRP207 |
| B | ZN404 |
| B | HOH517 |
| B | HOH535 |
| B | HOH545 |
| site_id | AF1 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 410 |
| Chain | Residue |
| B | PRO34 |
| B | ALA35 |
| B | TRP36 |
| B | HOH503 |
| site_id | AF2 |
| Number of Residues | 9 |
| Details | binding site for residue GOL B 411 |
| Chain | Residue |
| B | ALA131 |
| B | LYS132 |
| B | ARG133 |
| B | HIS134 |
| B | GLN194 |
| B | HIS228 |
| B | GLN237 |
| B | GLY240 |
| B | HOH506 |
| site_id | AF3 |
| Number of Residues | 8 |
| Details | binding site for residue GOL B 412 |
| Chain | Residue |
| B | TYR78 |
| B | TYR115 |
| B | ARG118 |
| B | TYR145 |
| B | ASN151 |
| B | VAL153 |
| B | HOH507 |
| B | HOH690 |
| site_id | AF4 |
| Number of Residues | 5 |
| Details | binding site for residue GOL B 413 |
| Chain | Residue |
| B | GLU105 |
| B | LYS222 |
| B | GLN237 |
| B | HOH506 |
| B | HOH625 |
| site_id | AF5 |
| Number of Residues | 9 |
| Details | binding site for residue PGE B 414 |
| Chain | Residue |
| A | TYR117 |
| B | PRO34 |
| B | PRO114 |
| B | TYR115 |
| B | ASN150 |
| B | ASN151 |
| B | GLY234 |
| B | HOH515 |
| B | HOH653 |
| site_id | AF6 |
| Number of Residues | 10 |
| Details | binding site for residue PGE B 415 |
| Chain | Residue |
| A | TYR117 |
| A | HOH511 |
| B | HIS206 |
| B | SER208 |
| B | PRO209 |
| B | GLN210 |
| B | ALA224 |
| B | HIS239 |
| B | ARG313 |
| B | HOH549 |
| site_id | AF7 |
| Number of Residues | 3 |
| Details | binding site for residue PEG B 416 |
| Chain | Residue |
| B | ARG217 |
| B | PRO309 |
| B | ARG312 |
| site_id | AF8 |
| Number of Residues | 5 |
| Details | binding site for residue PEG B 417 |
| Chain | Residue |
| B | TRP207 |
| B | SER212 |
| B | GLN304 |
| B | LEU311 |
| B | ARG312 |
| site_id | AF9 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 B 418 |
| Chain | Residue |
| B | ALA232 |
| B | ARG233 |
| site_id | AG1 |
| Number of Residues | 4 |
| Details | binding site for residue MES B 419 |
| Chain | Residue |
| B | HIS279 |
| B | SER288 |
| B | LEU289 |
| B | GLU290 |
| site_id | AG2 |
| Number of Residues | 8 |
| Details | binding site for residue MES B 420 |
| Chain | Residue |
| B | ASP101 |
| B | VAL103 |
| B | ASN128 |
| B | PRO129 |
| B | THR130 |
| B | THR183 |
| B | LYS188 |
| B | HOH638 |
| site_id | AG3 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 B 421 |
| Chain | Residue |
| B | GLN272 |
| B | ARG292 |
| B | GLN295 |
| B | ASN296 |
| B | TYR297 |
| site_id | AG4 |
| Number of Residues | 13 |
| Details | binding site for Di-peptide ORT A 419 and PHE A 420 |
| Chain | Residue |
| A | HIS140 |
| A | ASP159 |
| A | GLU201 |
| A | GLU202 |
| A | TRP207 |
| A | ASP248 |
| A | ASN263 |
| A | ILE303 |
| A | GLN304 |
| A | TRP329 |
| A | HIS330 |
| A | ZN402 |
| A | HOH578 |
| site_id | AG5 |
| Number of Residues | 9 |
| Details | binding site for Di-peptide PHE A 420 and 66N A 421 |
| Chain | Residue |
| A | TRP207 |
| A | PHE261 |
| A | PRO262 |
| A | ASN263 |
| A | ILE303 |
| A | GLN304 |
| C | ORT419 |
| A | HOH529 |
| A | HOH539 |
| site_id | AG6 |
| Number of Residues | 15 |
| Details | binding site for Di-peptide ORT A 422 and PHE A 423 |
| Chain | Residue |
| A | GLU280 |
| A | GLY282 |
| A | LEU284 |
| A | LYS285 |
| A | ASP286 |
| A | GLU327 |
| A | GLU337 |
| A | ASN338 |
| A | LEU339 |
| A | ZN404 |
| A | HOH505 |
| A | HOH507 |
| A | HOH649 |
| A | HOH667 |
| A | HOH677 |
| site_id | AG7 |
| Number of Residues | 11 |
| Details | binding site for Di-peptide PHE A 423 and 66N A 424 |
| Chain | Residue |
| A | ALA252 |
| A | PRO253 |
| A | GLU280 |
| A | GLY282 |
| A | HIS287 |
| A | GLU327 |
| A | VAL328 |
| A | ASN338 |
| D | ORT422 |
| A | HOH502 |
| A | HOH540 |
| site_id | AG8 |
| Number of Residues | 16 |
| Details | binding site for Di-peptide ORT B 422 and PHE B 423 |
| Chain | Residue |
| B | HIS140 |
| B | ASP159 |
| B | GLU201 |
| B | GLU202 |
| B | TRP207 |
| B | ASP248 |
| B | ASN263 |
| B | ILE303 |
| B | GLN304 |
| B | LEU311 |
| B | GLY314 |
| B | VAL315 |
| B | TRP329 |
| B | HIS330 |
| B | ZN402 |
| B | HOH535 |
| site_id | AG9 |
| Number of Residues | 13 |
| Details | binding site for Di-peptide PHE B 423 and 66N B 424 |
| Chain | Residue |
| B | TRP207 |
| B | PHE261 |
| B | PRO262 |
| B | ASN263 |
| B | VAL302 |
| B | ILE303 |
| B | GLN304 |
| B | LEU311 |
| B | GLY314 |
| B | VAL315 |
| B | PEG417 |
| E | ORT422 |
| B | HOH642 |
| site_id | AH1 |
| Number of Residues | 13 |
| Details | binding site for Di-peptide PHE B 423 and 66N B 424 |
| Chain | Residue |
| B | TRP207 |
| B | PHE261 |
| B | PRO262 |
| B | ASN263 |
| B | VAL302 |
| B | ILE303 |
| B | GLN304 |
| B | LEU311 |
| B | GLY314 |
| B | VAL315 |
| B | PEG417 |
| E | ORT422 |
| B | HOH642 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor => ECO:0000269|PubMed:18072935 |
| Chain | Residue | Details |
| B | GLU201 | |
| B | ASP248 | |
| A | GLU201 | |
| A | ASP248 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:16135565, ECO:0000269|PubMed:18072935, ECO:0000269|PubMed:21288892, ECO:0000269|PubMed:21671571, ECO:0007744|PDB:2AFM, ECO:0007744|PDB:2AFO, ECO:0007744|PDB:2AFS, ECO:0007744|PDB:2AFU, ECO:0007744|PDB:2AFW, ECO:0007744|PDB:2AFX, ECO:0007744|PDB:2AFZ, ECO:0007744|PDB:2ZED, ECO:0007744|PDB:2ZEE, ECO:0007744|PDB:2ZEF, ECO:0007744|PDB:2ZEG, ECO:0007744|PDB:2ZEH, ECO:0007744|PDB:2ZEL, ECO:0007744|PDB:2ZEM, ECO:0007744|PDB:2ZEN, ECO:0007744|PDB:2ZEO, ECO:0007744|PDB:2ZEP, ECO:0007744|PDB:3PBB, ECO:0007744|PDB:3PBE, ECO:0007744|PDB:3SI0, ECO:0007744|PDB:4YU9, ECO:0007744|PDB:4YWY |
| Chain | Residue | Details |
| B | ASP159 | |
| B | GLU202 | |
| B | HIS330 | |
| A | ASP159 | |
| A | GLU202 | |
| A | HIS330 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:21671571 |
| Chain | Residue | Details |
| A | ASN49 | |
| B | ASN49 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255 |
| Chain | Residue | Details |
| A | ASN296 | |
| B | ASN296 |
