6SKB
Crystal Structure of Human Kallikrein 6 (N217D/I218Y/K224R) in complex with GSK3496783A
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | Kallikrein-6 | polymer | 289 | 31407.5 | 3 | UniProt (Q92876) Pfam (PF00089) | Homo sapiens (Human) | Neurosin,Protease M,SP59,Serine protease 18,Serine protease 9,Zyme |
| 2 | D, F, J (A, B, C) | 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide | non-polymer | 373.2 | 3 | Chemie (LH5) | |||
| 3 | E, G, H (A, B, C) | 4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide | non-polymer | 373.2 | 3 | Chemie (RH5) | |||
| 4 | I (C) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | K, L, M (A, B, C) | water | water | 18.0 | 273 | Chemie (HOH) |
Sequence modifications
A, B, C: 6 - 245 (UniProt: Q92876)
| PDB | External Database | Details |
|---|---|---|
| Met -50 | - | initiating methionine |
| Pro -49 | - | expression tag |
| Met -48 | - | expression tag |
| Leu -47 | - | expression tag |
| Ser -46 | - | expression tag |
| Ala -45 | - | expression tag |
| Ile -44 | - | expression tag |
| Val -43 | - | expression tag |
| Leu -42 | - | expression tag |
| Tyr -41 | - | expression tag |
| Val -40 | - | expression tag |
| Leu -39 | - | expression tag |
| Leu -38 | - | expression tag |
| Ala -37 | - | expression tag |
| Ala -36 | - | expression tag |
| Ala -35 | - | expression tag |
| Ala -34 | - | expression tag |
| His -33 | - | expression tag |
| Ser -32 | - | expression tag |
| Ala -31 | - | expression tag |
| Phe -30 | - | expression tag |
| Ala -29 | - | expression tag |
| Ala -28 | - | expression tag |
| Met -27 | - | expression tag |
| Val -26 | - | expression tag |
| His -25 | - | expression tag |
| His -24 | - | expression tag |
| His -23 | - | expression tag |
| His -22 | - | expression tag |
| His -21 | - | expression tag |
| His -20 | - | expression tag |
| Ser -19 | - | expression tag |
| Ala -18 | - | expression tag |
| Gly -17 | - | expression tag |
| Leu -16 | - | expression tag |
| Val -15 | - | expression tag |
| Pro -14 | - | expression tag |
| Arg -13 | - | expression tag |
| Gly -12 | - | expression tag |
| Ser -11 | - | expression tag |
| Gly -10 | - | expression tag |
| Lys -9 | - | expression tag |
| Glu -8 | - | expression tag |
| Thr -7 | - | expression tag |
| Ala -6 | - | expression tag |
| Ala -5 | - | expression tag |
| Ala -4 | - | expression tag |
| Lys -3 | - | expression tag |
| Phe -2 | - | expression tag |
| Glu -1 | - | expression tag |
| Arg 0 | - | expression tag |
| Gln 1 | - | expression tag |
| His 2 | - | expression tag |
| Met 3 | - | expression tag |
| Asp 4 | - | expression tag |
| Ser 5 | - | expression tag |
| Ser 7 | Ala 13 | conflict |
| Gly 8 | Ala 14 | conflict |
| Gly 9 | Trp 15 | conflict |
| Gly 10 | Ala 16 | conflict |
| Asp 11 | Glu 17 | conflict |
| Asp 12 | Glu 18 | conflict |
| Asp 13 | Gln 19 | conflict |
| Asp 14 | Asn 20 | conflict |
| Gly 74 | Arg 78 | conflict |
| Gln 76 | Arg 80 | conflict |
| Gln 132 | Asn 134 | conflict |
| Asp 217 | Asn 215 | engineered mutation |
| Tyr 218 | Ile 216 | engineered mutation |
| Arg 224 | Lys 223 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 94222.6 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 2331.4 | |
| All* | Total formula weight | 96553.9 |
