5MYV - chain C (model A) | SRSF protein kinase 2
Structure information
PDB: | 5MYV |
PubMed: | 28135068 |
Release date: | 2017-05-10 |
Resolution: | 2.9 Å |
Kinase: | SRPK2 |
Family: | SRPK |
Group: | CMGC |
Species: | HUMAN |
Quality Score: | 8 |
Missing Residues: | 0 |
Missing Atoms: | 0 |
DFG conformation: | in |
αC-helix conformation: | in |
Salt bridge KIII.17 and EαC.24: | Yes (3.1Å) |
ASP rotation (xDFG.81) : | 339° |
PHE rotation (xDFG.82) : | 5° |
Activation loop position: | -3.3Å |
αC-helix position: | 18.4Å |
G-rich loop angle: | 53.9° |
G-rich loop distance: | 17Å |
G-rich loop rotation: | 58.5° |
Other models from this PDB:
2D & 3D views
Binding pocket waters
No waters were found in the defined clusters
Binding pocket sequence
Uniprot | RKLGWGHFSTVWLVAMKVVTALDEIKLLKCVRDMVVQLIDDCMVFEVLG-HHLLKWIIKLHSKCKIIHTDIKPENILMIADLGNA |
Structure: | RKLGWGHFSTVWLVAMKVVTALDEIKLLKCVRDMVVQLIDDCMVFEVLG_HHLLKWIIKLHSKCKIIHTDIKPENILMIADLGNA |
Modified residues
No modified residues identified.
Orthosteric ligand
Ligand HET-code: W4A
Ligand Name: 5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
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- LABELS
- KLIFS residue #
- Amino Acid
- None
- COLORS
- Interaction types
- KLIFS (all res.)
- KLIFS (interacting res.)
- None
- OTHER
- Show/hide non-interacting res.
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This ligand targets the following (sub)pockets:
Main pockets | |
---|---|
Front | |
Gate | |
Back |
Subpockets | |
---|---|
FP-I | |
FP-II | |
BP-I-A | |
BP-I-B | |
BP-II-in | |
BP-II-A-in | |
BP-II-B-in | |
BP-II-out | |
BP-II-B | |
BP-III | |
BP-IV | |
BP-V |
Kinase-ligand interactions
■ Hydrophobic ♦ Aromatic face-to-face ♦ Aromatic face-to-edge ▲ H-bond donor ▲ H-bond acceptor ● Ionic positive ● Ionic negative
I | g.l | II | III | αC | |||||||||||||||
1 R 96 | 2 K 97 | 3 L 98 | 4 G 99 | 5 W 100 | 6 G 101 | 7 H 102 | 8 F 103 | 9 S 104 | 10 T 105 | 11 V 106 | 12 W 107 | 13 L 108 | 14 V 118 | 15 A 119 | 16 M 120 | 17 K 121 | 18 V 122 | 19 V 123 | 20 T 132 |
■ | ■ | ■ | ■ | ■ | |||||||||||||||
αC | b.l | IV | |||||||||||||||||
21 A 133 | 22 L 134 | 23 D 135 | 24 E 136 | 25 I 137 | 26 K 138 | 27 L 139 | 28 L 140 | 29 K 141 | 30 C 142 | 31 V 143 | 32 R 144 | 33 D 154 | 34 M 155 | 35 V 156 | 36 V 157 | 37 Q 158 | 38 L 159 | 39 I 160 | 40 D 161 |
IV | V | GK | hinge | linker | αD | αE | |||||||||||||
41 D 162 | 42 C 174 | 43 M 175 | 44 V 176 | 45 F 177 | 46 E 178 | 47 V 179 | 48 L 180 | 49 G 181 | 50 _ _ | 51 H 182 | 52 H 183 | 53 L 184 | 54 L 185 | 55 K 186 | 56 W 187 | 57 I 188 | 58 I 189 | 59 K 190 | 60 L 215 |
■♦ | ■ | ■▲ | ■ | ■♦ | |||||||||||||||
αE | VI | c.l | VII | VIII | x | ||||||||||||||
61 H 216 | 62 S 217 | 63 K 218 | 64 C 219 | 65 K 220 | 66 I 221 | 67 I 222 | 68 H 223 | 69 T 224 | 70 D 225 | 71 I 226 | 72 K 227 | 73 P 228 | 74 E 229 | 75 N 230 | 76 I 231 | 77 L 232 | 78 M 233 | 79 I 539 | 80 A 540 |
■ | |||||||||||||||||||
DFG | a.l | ||||||||||||||||||
81 D 541 | 82 L 542 | 83 G 543 | 84 N 544 | 85 A 545 | |||||||||||||||
Binding affinities
Ligand not found in ChEMBL.