6LR4
Molecular basis for inhibition of human gamma-secretase by small molecule
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Nicastrin | polymer | 709 | 78483.6 | 1 | UniProt (Q92542) Pfam (PF18266) Pfam (PF05450) In PDB | Homo sapiens (Human) | |
| 2 | B | Presenilin-1 | polymer | 467 | 52713.5 | 1 | UniProt (P49768) Pfam (PF01080) In PDB | Homo sapiens (Human) | PS-1,Protein S182 |
| 3 | C | Gamma-secretase subunit APH-1A | polymer | 265 | 29017.9 | 1 | UniProt (Q96BI3) Pfam (PF06105) In PDB | Homo sapiens (Human) | APH-1a,Aph-1alpha,Presenilin-stabilization factor |
| 4 | D | Gamma-secretase subunit PEN-2 | polymer | 143 | 16498.7 | 1 | UniProt (Q9NZ42) Pfam (PF10251) In PDB | Homo sapiens (Human) | Presenilin enhancer protein 2 |
| 5 | E, G, H, I, J | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 5 | In PDB GlyTouCan (G42666HT) | |||
| 6 | F | beta-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 910.8 | 1 | In PDB GlyTouCan (G89225LT) | |||
| 7 | A | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 6 | Chemie (NAG) | |||
| 8 | B, C | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE | non-polymer | 790.1 | 2 | Chemie (PC1) | |||
| 9 | B | (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide | non-polymer | 361.4 | 1 | Chemie (ESF) | |||
| 10 | C | CHOLESTEROL | non-polymer | 386.7 | 3 | Chemie (CLR) |
Sequence modifications
D: 2 - 101 (UniProt: Q9NZ42)
| PDB | External Database | Details |
|---|---|---|
| Met -41 | - | expression tag |
| Ala -40 | - | expression tag |
| Ser -39 | - | expression tag |
| Trp -38 | - | expression tag |
| Ser -37 | - | expression tag |
| His -36 | - | expression tag |
| Pro -35 | - | expression tag |
| Gln -34 | - | expression tag |
| Phe -33 | - | expression tag |
| Glu -32 | - | expression tag |
| Lys -31 | - | expression tag |
| Gly -30 | - | expression tag |
| Gly -29 | - | expression tag |
| Gly -28 | - | expression tag |
| Ala -27 | - | expression tag |
| Arg -26 | - | expression tag |
| Gly -25 | - | expression tag |
| Gly -24 | - | expression tag |
| Ser -23 | - | expression tag |
| Gly -22 | - | expression tag |
| Gly -21 | - | expression tag |
| Gly -20 | - | expression tag |
| Ser -19 | - | expression tag |
| Trp -18 | - | expression tag |
| Ser -17 | - | expression tag |
| His -16 | - | expression tag |
| Pro -15 | - | expression tag |
| Gln -14 | - | expression tag |
| Phe -13 | - | expression tag |
| Glu -12 | - | expression tag |
| Lys -11 | - | expression tag |
| Gly -10 | - | expression tag |
| Phe -9 | - | expression tag |
| Asp -8 | - | expression tag |
| Tyr -7 | - | expression tag |
| Lys -6 | - | expression tag |
| Asp -5 | - | expression tag |
| Asp -4 | - | expression tag |
| Asp -3 | - | expression tag |
| Asp -2 | - | expression tag |
| Lys -1 | - | expression tag |
| Gly 0 | - | expression tag |
| Thr 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 176713.7 | |
| Branched | Number of molecules | 6 |
| Total formula weight | 3032.8 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 4428.9 | |
| All* | Total formula weight | 184175.5 |
