Receptor
PDB id Resolution Class Description Source Keywords
4OUC 1.9 Å EC: 2.7.11.1 STRUCTURE OF HUMAN HASPIN IN COMPLEX WITH HISTONE H3 SUBSTRA HOMO SAPIENS STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC TRANSFERASE HISTONE KINASE SUBSTRATE COMPLEX CHROMATIN R
Ref.: MODULATION OF THE CHROMATIN PHOSPHOPROTEOME BY THE PROTEIN KINASE. MOL CELL PROTEOMICS V. 13 1724 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:806;
A:804;
A:805;
A:807;
A:802;
A:803;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
IOD A:809;
Invalid;
none;
submit data
126.904 I [I-]
5ID A:808;
Valid;
none;
submit data
392.15 C11 H13 I N4 O4 c1c(c...
NA A:801;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OUC 1.9 Å EC: 2.7.11.1 STRUCTURE OF HUMAN HASPIN IN COMPLEX WITH HISTONE H3 SUBSTRA HOMO SAPIENS STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC TRANSFERASE HISTONE KINASE SUBSTRATE COMPLEX CHROMATIN R
Ref.: MODULATION OF THE CHROMATIN PHOSPHOPROTEOME BY THE PROTEIN KINASE. MOL CELL PROTEOMICS V. 13 1724 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 4OUC - 5ID C11 H13 I N4 O4 c1c(c2c(nc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 4OUC - 5ID C11 H13 I N4 O4 c1c(c2c(nc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 4OUC - 5ID C11 H13 I N4 O4 c1c(c2c(nc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5ID; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 5ID 1 1
2 5I5 0.672414 0.861538
3 TO1 0.612903 0.909091
4 HO4 0.603175 0.909091
5 SGV 0.59375 0.923077
6 RAB 0.454545 0.923077
7 ADN 0.454545 0.923077
8 TBN 0.454545 0.9375
9 XYA 0.454545 0.923077
10 ZJB 0.447368 0.821918
11 AD3 0.402778 0.923077
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4OUC; Ligand: 5ID; Similar sites found: 273
This union binding pocket(no: 1) in the query (biounit: 4ouc.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4PU5 ANP 0.00117 0.40307 1.40056
2 3HMO STU 0.0000005723 0.57418 1.46199
3 3UN3 G16 0.003575 0.418 1.68067
4 3LXI CAM 0.009778 0.41637 1.68067
5 4N9I PCG 0.03383 0.40923 1.90476
6 5JBX MLI 0.002672 0.40186 1.91571
7 4CYI ATP 0.00004643 0.51353 1.96078
8 5KO1 6UY 0.0003184 0.45774 2.12014
9 1OUK 084 0.0001449 0.56086 2.2409
10 5UKL SIX 0.00001449 0.55029 2.2409
11 4L9I 8PR 0.00001444 0.52881 2.2409
12 3X01 AMP 0.001327 0.46223 2.2409
13 4LOO SB4 0.0003339 0.44749 2.2409
14 2JLD AG1 0.000001459 0.44447 2.2409
15 4NM5 ADP 0.02655 0.41464 2.2409
16 1AUX AGS 0.002891 0.40972 2.2508
17 3I7S PYR 0.02584 0.40166 2.39726
18 3VPC ADP 0.0008764 0.40835 2.48227
19 5UOX 8GY 0.000000105 0.55381 2.52101
20 5I35 ANP 0.00001749 0.51088 2.52101
21 5EKO N17 0.0004367 0.47269 2.52101
22 3I0O ADP 0.0004242 0.47082 2.52101
23 3K5I ADP 0.0008601 0.41843 2.52101
24 4IX4 ADP 0.000003074 0.56797 2.57143
25 1XJD STU 0.00000001724 0.60795 2.6087
26 3PVW QRX 0.000004825 0.46278 2.7027
27 4QTB 38Z 0.0000004177 0.49134 2.80112
28 3GC8 B45 0.00002507 0.46973 2.80112
29 3VOT ADP 0.0009118 0.4551 2.80112
30 5W2I I3P 0.002097 0.44263 2.80112
31 5W2I ADP 0.002097 0.44263 2.80112
32 5TDF ADP 0.003574 0.42642 2.80112
33 2YRX AMP 0.008722 0.41985 2.80112
34 2VPQ ANP 0.0007222 0.40893 2.80112
35 1M0W ANP 0.00741 0.40375 2.80112
36 4OUJ LBT 0.00945 0.42826 2.9316
37 5C1P DAL DAL 0.01062 0.41105 2.94118
38 5C1P ADP 0.005902 0.40335 2.94118
39 1ZY5 ANP 0.00003878 0.4949 2.9703
40 5EOB 5QQ 0.00003711 0.56276 3.08123
41 4O1P ANP 0.00001223 0.50798 3.08123
42 4OCV ANP 0.0001568 0.45679 3.08123
43 2QLU ADE 0.00002202 0.54003 3.18471
44 4R78 AMP 0.00003985 0.52676 3.23625
45 5IVE 6E8 0.008909 0.4216 3.33333
46 5MW8 ATP 0.000004395 0.56589 3.36134
47 3PLS ANP 0.00001755 0.51038 3.36134
48 5C03 AGS 0.00004018 0.51138 3.50877
49 2CBT TH2 0.009866 0.41515 3.57143
50 1CKN GTP 0.008512 0.41361 3.63636
51 1CKM GTP 0.01076 0.40863 3.63636
52 2VQD AP2 0.0005858 0.42514 3.64146
53 5HX8 66P 0.0000003114 0.50421 3.64238
54 1GSA ADP 0.0001068 0.44107 3.79747
55 4WW7 AMP 0.00004871 0.51491 3.83142
56 2IF8 ADP 0.00163 0.45424 3.85675
57 5TO8 7FM 0.000005284 0.58885 3.90071
58 4XYM A12 0.006595 0.41223 3.91304
59 3LXK MI1 0.0000003245 0.49694 3.92157
60 2Y6O 1N1 0.00005155 0.45426 3.92157
61 2XVD AS6 0.00002522 0.42673 3.92157
62 4A91 GLU 0.005946 0.4098 3.92157
63 1EHI ADP 0.002994 0.40185 3.92157
64 5GZ9 ANP 0.0000000242 0.67131 3.93443
65 1RE8 BD2 0.0000001015 0.68346 4
66 2QCS ANP 0.00000000547 0.5507 4
67 4M7V RAR 0.03657 0.40436 4
68 3HAV ATP 0.002207 0.44995 4.01338
69 3WVR AMP 0.002331 0.4264 4.02685
70 2GU8 796 0.0000001584 0.68493 4.1543
71 3MMH SME 0.009939 0.40595 4.19162
72 5MY8 RXZ 0.000003424 0.57569 4.20168
73 4WB7 ATP 0.00000003579 0.46414 4.20168
74 3VHE 42Q 0.000004794 0.44268 4.20168
75 1VKF CIT 0.0159 0.40654 4.25532
76 1ZTH ADP 0.00006726 0.50865 4.26357
77 1ZP9 ATP 0.0001429 0.481 4.26357
78 4WB6 ATP 0.000000005339 0.71081 4.28571
79 4P5Z Q7M 0.00006829 0.53267 4.43213
80 4BKJ STI 0.0005884 0.47035 4.44444
81 3RI1 3RH 0.000008774 0.4592 4.47284
82 4YMJ 4EJ 0.0000007926 0.62733 4.48179
83 4YLL 4E3 0.0000009305 0.59736 4.48179
84 4UX9 ANP 0.00000001352 0.59687 4.48179
85 3GQI ACP 0.00000021 0.58067 4.48179
86 3PTG 932 0.0000001534 0.57924 4.48179
87 2PVF ACP 0.000000843 0.56782 4.48179
88 4IZY 1J2 0.0000008905 0.52817 4.48179
89 3TTI KBI 0.0000005811 0.48848 4.48179
90 4IDT T28 0.0000001571 0.59938 4.49438
91 5VC5 96M 0.000002998 0.58282 4.49827
92 5UR1 YY9 0.000005056 0.59421 4.50161
93 2A19 ANP 0.00009303 0.50199 4.57143
94 5T8O 76Z 0.000001542 0.52188 4.58453
95 4CFU 2WC 0.0000001283 0.61813 4.62046
96 4BCQ TJF 0.000002086 0.57998 4.65116
97 4BCM T7Z 0.000001913 0.52446 4.65116
98 4BCN T9N 0.0000001878 0.61978 4.66667
99 2XMY CDK 0.0000000265 0.73482 4.69799
100 5LMK 6ZK 0.0000004517 0.59352 4.7138
101 4Y85 499 0.000001626 0.57179 4.81928
102 5JKG 6LF 0.00005662 0.53667 4.82315
103 4OR7 NAP 0.01055 0.41545 4.84848
104 4AUA 4AU 0.0000009893 0.58157 4.88599
105 1TQP ATP 0.0006802 0.40528 4.96454
106 5C4L 4XR 0.0001303 0.51001 4.98442
107 5C4L SIS 0.001145 0.46457 4.98442
108 4YZC STU 0.0000004225 0.63947 5.04202
109 5AWM ANP 0.0000007727 0.60037 5.04202
110 4FL3 ANP 0.0000008121 0.52549 5.04202
111 4OAV ACP 0.0000104 0.52081 5.04202
112 4AZT LY2 0.00302 0.43049 5.04202
113 3TTM PUT 0.01084 0.41234 5.04202
114 4AZW ATP 0.001744 0.40935 5.04202
115 3TII ANP 0.01039 0.40503 5.04202
116 5EFQ ADP 0.0000003382 0.60602 5.18732
117 4REP FAD 0.01513 0.42018 5.25253
118 4DFU QUE 0.008815 0.4176 5.2795
119 5BYZ 4WE 0.00001078 0.56211 5.32213
120 4XH0 ADP 0.00003253 0.54345 5.32213
121 4ZS4 ATP 0.0003096 0.44025 5.32213
122 3PDT ADP 0.001247 0.43863 5.32213
123 3TY5 ADP 0.005319 0.41025 5.32213
124 4CC6 L5Y 0.007175 0.41722 5.34591
125 1IA9 ANP 0.001701 0.41274 5.35714
126 4EWH T77 0.00000006739 0.51131 5.45455
127 3UIM ANP 0.000004826 0.52492 5.52147
128 4OTH DRN 0.0000001038 0.55385 5.57185
129 5IQD RIO 0.002404 0.45662 5.57377
130 5IQD GNP 0.002276 0.45662 5.57377
131 3HZT J60 0.000006331 0.55718 5.60224
132 2PYW ADP 0.0000687 0.46104 5.60224
133 2PUL ACP 0.0004326 0.45125 5.60224
134 4B0T ADP 0.01447 0.40467 5.60224
135 1VJY 460 0.0000000892 0.66452 5.61056
136 5CEO 50D 0.00001542 0.53036 5.66667
137 2CSN CKI 0.0000001515 0.51661 5.72391
138 3SRV S19 0.000000003448 0.66988 5.77617
139 3FHI ANP 0.00000001357 0.54036 5.84416
140 4F4P 0SB 0.00001614 0.58538 5.86081
141 4E93 GUI 0.0000005661 0.45946 5.88235
142 4MV1 ADP 0.01727 0.40887 5.88235
143 5LPZ ADP 0.000001815 0.54199 6.0241
144 5JGA 6KC 0.0000007284 0.45339 6.03175
145 1S9D AFB 0.01319 0.4001 6.09756
146 5X8I SQZ 0.000000002529 0.65821 6.16247
147 2H8H H8H 0.000001585 0.5428 6.16247
148 1Y57 MPZ 0.0000165 0.46719 6.16247
149 1T9D P22 0.01841 0.40156 6.16247
150 2WEL K88 0.00001069 0.56906 6.42202
151 3H9R TAK 0.00009431 0.5086 6.42202
152 5LXC 7AA 0.000000004012 0.68586 6.44258
153 2QK4 ATP 0.003957 0.40289 6.44258
154 4L2I FAD 0.01513 0.41617 6.46388
155 3TDV GDP 0.000006347 0.51929 6.53595
156 4D2S DYK 0.000001692 0.55679 6.69014
157 3ALN ANP 0.000006807 0.5008 6.72269
158 5LPB ADP 0.000002256 0.54478 6.75676
159 2VN9 GVD 0.00000005925 0.66401 6.97674
160 4WNK 453 0.0000009445 0.61097 7.0028
161 4GYI ADP 0.0002139 0.47883 7.0028
162 2X2M X2M 0.0000007502 0.52401 7.00637
163 1IOW PHY 0.004565 0.43943 7.18954
164 1IOW ADP 0.004565 0.43943 7.18954
165 5BVE 4VG 0.0000001327 0.69503 7.28291
166 5HES 032 0.000001544 0.5845 7.28291
167 4FG8 ATP 0.000003926 0.50907 7.28291
168 2BKK ADP 0.001069 0.43698 7.28291
169 3GC0 AMP 0.00001733 0.52915 7.29483
170 3UDZ ADP 0.000006606 0.50613 7.30223
171 4LO2 GAL BGC 0.01204 0.42216 7.48299
172 3EKK GS2 0.000002371 0.42261 7.49186
173 3E7O 35F 0.00001802 0.55313 7.5
174 3BU5 ATP 0.0000039 0.52811 7.51634
175 4H3Q ANP 0.0000004987 0.52535 7.56302
176 4CRL C1I 0.000004637 0.5834 7.63547
177 3G5D 1N1 0.00001398 0.58547 7.69231
178 3KMW ATP 0.002084 0.42224 7.75194
179 2J73 GLC GLC GLC 0.009425 0.42266 7.76699
180 2J73 GLC GLC GLC GLC 0.01534 0.40781 7.76699
181 3NW7 LGV 0.0000118 0.57987 7.81759
182 2OFV 242 0.00002124 0.55456 7.94224
183 1TZD ADP 0.00885 0.41422 8
184 1K3A ACP 0.000008578 0.52703 8.02676
185 3KRL KRL 0.00003035 0.4636 8.0597
186 2W9S NDP 0.01481 0.40702 8.07453
187 4H3P ANP 0.000005447 0.52508 8.12325
188 4WOV 3SM 0.00004161 0.51162 8.12325
189 5CKW ANP 0.0001207 0.47329 8.12325
190 4XMF HSM 0.002947 0.46788 8.15217
191 4E1Z 0MX 0.000001953 0.50253 8.24742
192 4GJ3 0XP 0.000000004293 0.52172 8.27815
193 1W2D ADP 0.0004874 0.46797 8.30189
194 2HK5 1BM 0.0001012 0.45216 8.51852
195 5H2U 1N1 0.0004393 0.44155 8.61423
196 4FF8 14S 0.003505 0.41116 8.66873
197 5DA3 58V 0.00006168 0.51043 8.67924
198 3TXO 07U 0.0000006683 0.58587 8.68347
199 4Y93 746 0.00003114 0.44343 8.68347
200 1OPK P16 0.00001646 0.41448 8.68347
201 5HCY 60D 0.00003484 0.5538 8.76133
202 3PP0 03Q 0.000003302 0.46742 8.87574
203 5LI1 ANP 0.000000001111 0.73039 8.96359
204 4NST ADP 0.0000003949 0.60295 8.96359
205 5LI9 ACP 0.0000001614 0.56717 8.96359
206 3IGO ANP 0.000006138 0.49121 8.96359
207 1V0O INR 0.0000000009797 0.65437 9.02778
208 3GNI ATP 0.00000164 0.52104 9.09091
209 5FBN 5WF 0.00002256 0.55171 9.22509
210 3VRY B43 0.00001624 0.45431 9.2437
211 5TA6 79D 0.00003375 0.42847 9.2437
212 2VZ6 FEF 0.000000102 0.632 9.26518
213 5USZ SKE 0.0000004225 0.49138 9.34256
214 5DBX ANP 0.0001043 0.47962 9.45122
215 5MJA 7O3 0.0001235 0.48385 9.5082
216 2F2U M77 0.00000003544 0.66366 9.52381
217 1U5R ATP 0.0000002016 0.59434 9.52381
218 1JPA ANP 0.000003212 0.57623 9.52381
219 3LXN MI1 0.00000006737 0.57297 9.52381
220 4XLI 1N1 0.00006811 0.48503 9.52381
221 3FC2 IBI 0.009178 0.44829 9.55224
222 4I6H 1C8 0.00004506 0.48395 9.74026
223 1U59 STU 0.00000003144 0.61222 9.7561
224 4CLI 5P8 0.00002461 0.56133 9.80392
225 2CFM AMP 0.00787 0.41077 9.80392
226 1PHK ATP 0.00000008144 0.58168 10.4027
227 3LQV ADE 0.003948 0.44651 10.4348
228 3KRR DQX 0.000003355 0.62462 10.5085
229 3SLS ANP 0.0000009374 0.52151 10.5263
230 4K33 ACP 0.0000007819 0.54656 10.6443
231 2WEI VGG 0.0001036 0.48728 10.6443
232 4KBA 1QM 0.000001329 0.46943 10.6443
233 3SXS PP2 0.000007591 0.49435 10.8209
234 5COU ATP 0.006478 0.40856 10.8824
235 3O0G 3O0 0.00000003492 0.64739 10.9589
236 1UNH IXM 0.0000005271 0.58029 10.9589
237 2ZV2 609 0.000000199 0.62823 11.0738
238 4AU8 Z3R 0.000001726 0.58386 11.1486
239 4TWP AXI 0.00001734 0.57021 11.4391
240 2B9H ADP 0.0000000317 0.65638 12.0448
241 1BYG STU 0.00000005205 0.63576 12.0448
242 2B9F ADP 0.00000004619 0.60775 12.0448
243 2B9J ADP 0.0000001761 0.5977 12.0448
244 2B9I ADP 0.0000001318 0.58907 12.0448
245 4CS9 AMP 0.0004791 0.46344 12.1693
246 2WU6 DKI 0.00000002208 0.57369 12.3249
247 5N87 N66 0.0000003174 0.64372 12.4601
248 3SXF BK5 0.000007098 0.4156 12.605
249 2VSS V55 0.004906 0.40721 12.6812
250 2V7O DRN 0.0000001108 0.65081 12.7976
251 5U6C 7YS 0.00002631 0.52733 13.3333
252 4BTK DTQ 0.00000155 0.57586 13.3531
253 3C1X CKK 0.001098 0.40297 13.941
254 5VZ0 ADP 0.002275 0.42919 14.0056
255 5FI4 5XV 0.01681 0.40008 14.0056
256 1O9U ADZ 0.00000008359 0.70271 14.2857
257 3F7Z 34O 0.0000006064 0.59446 14.2857
258 4BHN BH9 0.0000001141 0.56418 14.9701
259 1CM8 ANP 0.0000002058 0.59392 15.4062
260 3IDB ANP 0.00000002298 0.56064 15.528
261 4CSV STI 0.0001072 0.43282 19.2727
262 3VPB ADP 0.00005183 0.43755 19.6429
263 5JFS 6K0 0.0000007719 0.63168 20.7792
264 4AT3 LTI 0.00008901 0.40225 21.7391
265 4ASE AV9 0.00002656 0.42994 22.409
266 4AG8 AXI 0.000002395 0.41737 22.409
267 5K2M ADP 0.002116 0.44245 22.6415
268 2F57 23D 0.000005437 0.54489 22.6891
269 4QMN DB8 0.000002909 0.42011 24.1935
270 3ZRM ZRM 0.000001591 0.54354 28.125
271 4DC2 ADE 0.0000001316 0.67335 28.5714
272 5HQ0 LZ9 0.000000001291 0.72385 29.6919
273 4Q5H ANP 0.00004508 0.48628 34.2105
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