2Y56
Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Compound 3)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004888 | molecular_function | transmembrane signaling receptor activity |
| A | 0005216 | molecular_function | monoatomic ion channel activity |
| A | 0005230 | molecular_function | extracellular ligand-gated monoatomic ion channel activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0006811 | biological_process | monoatomic ion transport |
| A | 0016020 | cellular_component | membrane |
| A | 0034220 | biological_process | monoatomic ion transmembrane transport |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0004888 | molecular_function | transmembrane signaling receptor activity |
| B | 0005216 | molecular_function | monoatomic ion channel activity |
| B | 0005230 | molecular_function | extracellular ligand-gated monoatomic ion channel activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0006811 | biological_process | monoatomic ion transport |
| B | 0016020 | cellular_component | membrane |
| B | 0034220 | biological_process | monoatomic ion transmembrane transport |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0004888 | molecular_function | transmembrane signaling receptor activity |
| C | 0005216 | molecular_function | monoatomic ion channel activity |
| C | 0005230 | molecular_function | extracellular ligand-gated monoatomic ion channel activity |
| C | 0005515 | molecular_function | protein binding |
| C | 0006811 | biological_process | monoatomic ion transport |
| C | 0016020 | cellular_component | membrane |
| C | 0034220 | biological_process | monoatomic ion transmembrane transport |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0004888 | molecular_function | transmembrane signaling receptor activity |
| D | 0005216 | molecular_function | monoatomic ion channel activity |
| D | 0005230 | molecular_function | extracellular ligand-gated monoatomic ion channel activity |
| D | 0005515 | molecular_function | protein binding |
| D | 0006811 | biological_process | monoatomic ion transport |
| D | 0016020 | cellular_component | membrane |
| D | 0034220 | biological_process | monoatomic ion transmembrane transport |
| D | 0042802 | molecular_function | identical protein binding |
| D | 0046872 | molecular_function | metal ion binding |
| E | 0004888 | molecular_function | transmembrane signaling receptor activity |
| E | 0005216 | molecular_function | monoatomic ion channel activity |
| E | 0005230 | molecular_function | extracellular ligand-gated monoatomic ion channel activity |
| E | 0005515 | molecular_function | protein binding |
| E | 0006811 | biological_process | monoatomic ion transport |
| E | 0016020 | cellular_component | membrane |
| E | 0034220 | biological_process | monoatomic ion transmembrane transport |
| E | 0042802 | molecular_function | identical protein binding |
| E | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE V11 A 301 |
| Chain | Residue |
| A | THR89 |
| A | TYR193 |
| A | CL502 |
| B | TYR53 |
| B | GLN55 |
| B | ILE116 |
| A | TYR91 |
| A | LYS141 |
| A | GLY143 |
| A | SER144 |
| A | TRP145 |
| A | TYR186 |
| A | CYS188 |
| A | CYS189 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL A 501 |
| Chain | Residue |
| A | LYS40 |
| E | ARG95 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL A 502 |
| Chain | Residue |
| A | V11301 |
| B | ILE116 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 601 |
| Chain | Residue |
| A | LYS141 |
| A | GLN182 |
| A | GLN184 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 602 |
| Chain | Residue |
| A | GLN1 |
| A | ALA2 |
| A | ASN3 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL A 701 |
| Chain | Residue |
| A | THR158 |
| A | ASP159 |
| site_id | AC7 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE GOL A 702 |
| Chain | Residue |
| A | ARG205 |
| site_id | AC8 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE V11 B 301 |
| Chain | Residue |
| B | THR89 |
| B | TYR91 |
| B | GLY143 |
| B | SER144 |
| B | TRP145 |
| B | TYR186 |
| B | CYS188 |
| B | CYS189 |
| B | TYR193 |
| C | GLN55 |
| C | ILE116 |
| site_id | AC9 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL B 501 |
| Chain | Residue |
| B | LYS40 |
| site_id | BC1 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL B 502 |
| Chain | Residue |
| C | ILE116 |
| site_id | BC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL B 503 |
| Chain | Residue |
| B | TYR147 |
| site_id | BC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 601 |
| Chain | Residue |
| A | ASP126 |
| B | TYR167 |
| B | SER169 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 602 |
| Chain | Residue |
| B | GLN1 |
| B | ALA2 |
| B | ASN3 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 701 |
| Chain | Residue |
| B | TYR186 |
| B | SER187 |
| B | CYS188 |
| C | ASP162 |
| C | SER164 |
| C | SER165 |
| site_id | BC6 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE V11 C 301 |
| Chain | Residue |
| C | THR89 |
| C | TYR91 |
| C | LYS141 |
| C | GLY143 |
| C | SER144 |
| C | TRP145 |
| C | TYR186 |
| C | CYS188 |
| C | CYS189 |
| C | TYR193 |
| C | CL502 |
| D | ILE116 |
| site_id | BC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL C 501 |
| Chain | Residue |
| B | ARG95 |
| C | LYS40 |
| site_id | BC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL C 502 |
| Chain | Residue |
| C | V11301 |
| D | ILE116 |
| site_id | BC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 C 601 |
| Chain | Residue |
| C | GLN1 |
| C | ALA2 |
| C | ASN3 |
| site_id | CC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 C 602 |
| Chain | Residue |
| C | ASP25 |
| C | LYS59 |
| C | LEU60 |
| C | ASN61 |
| site_id | CC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL C 701 |
| Chain | Residue |
| C | TYR186 |
| C | SER187 |
| C | CYS188 |
| D | TYR53 |
| D | ASP162 |
| D | SER164 |
| D | SER165 |
| site_id | CC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL C 702 |
| Chain | Residue |
| C | SER93 |
| C | ARG95 |
| C | PRO96 |
| C | VAL97 |
| D | LEU100 |
| site_id | CC4 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE V11 D 301 |
| Chain | Residue |
| E | ILE116 |
| D | THR89 |
| D | TYR91 |
| D | GLY143 |
| D | SER144 |
| D | TRP145 |
| D | TYR186 |
| D | CYS188 |
| D | CYS189 |
| D | TYR193 |
| D | CL503 |
| E | GLN55 |
| site_id | CC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL D 501 |
| Chain | Residue |
| C | ARG95 |
| D | LYS40 |
| site_id | CC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL D 502 |
| Chain | Residue |
| D | SER165 |
| site_id | CC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL D 503 |
| Chain | Residue |
| D | V11301 |
| E | ILE116 |
| site_id | CC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 D 601 |
| Chain | Residue |
| B | HIS185 |
| C | ASP126 |
| D | TYR167 |
| D | SER169 |
| site_id | CC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 D 602 |
| Chain | Residue |
| D | LYS141 |
| D | GLN182 |
| D | ASN197 |
| site_id | DC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 D 603 |
| Chain | Residue |
| D | GLN1 |
| D | ALA2 |
| D | ASN3 |
| site_id | DC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL D 701 |
| Chain | Residue |
| D | ASP157 |
| D | THR158 |
| D | ASP159 |
| site_id | DC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL D 702 |
| Chain | Residue |
| D | MET17 |
| D | ILE83 |
| D | TRP84 |
| D | THR85 |
| site_id | DC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL D 703 |
| Chain | Residue |
| D | SER79 |
| D | PRO102 |
| D | GLN103 |
| site_id | DC5 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE V11 E 301 |
| Chain | Residue |
| A | ILE116 |
| E | THR89 |
| E | TYR91 |
| E | LYS141 |
| E | GLY143 |
| E | SER144 |
| E | TRP145 |
| E | TYR186 |
| E | CYS188 |
| E | TYR193 |
| E | CL502 |
| site_id | DC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL E 501 |
| Chain | Residue |
| E | LYS40 |
| site_id | DC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL E 502 |
| Chain | Residue |
| A | ILE116 |
| E | V11301 |
| site_id | DC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 E 601 |
| Chain | Residue |
| E | LYS141 |
| E | GLN182 |
| E | ASN197 |
| site_id | DC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 E 602 |
| Chain | Residue |
| D | ASP126 |
| E | TYR167 |
| E | SER169 |
| site_id | EC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 E 603 |
| Chain | Residue |
| E | GLN1 |
| E | ALA2 |
| E | ASN3 |
| site_id | EC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 E 604 |
| Chain | Residue |
| D | TYR91 |
| D | SER92 |
| E | GLN36 |
| E | SER165 |
| E | TYR167 |
| site_id | EC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 E 605 |
| Chain | Residue |
| A | TYR167 |
| A | SER169 |
| E | ASP126 |
