Receptor
PDB id Resolution Class Description Source Keywords
4ZEV 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PFHAD1 IN COMPLEX WITH MANNOSE-6-PHOSPH PLASMODIUM FALCIPARUM (ISOLATE 3D7) C2 HAD SUGAR PHOSPHATASE HALOACID-DEHALOGENASE MANNOSE-6-PHOSPHATE UNKNOWN FUNCTION
Ref.: CAP-DOMAIN CLOSURE ENABLES DIVERSE SUBSTRATE RECOGN THE C2-TYPE HALOACID DEHALOGENASE-LIKE SUGAR PHOSPH PLASMODIUM FALCIPARUM HAD1. ACTA CRYSTALLOGR. D BIOL. V. 71 1824 2015 CRYSTALLOGR.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
M6P A:302;
Valid;
none;
submit data
260.136 C6 H13 O9 P C([C@...
MG B:301;
A:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
PO4 B:302;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZEV 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PFHAD1 IN COMPLEX WITH MANNOSE-6-PHOSPH PLASMODIUM FALCIPARUM (ISOLATE 3D7) C2 HAD SUGAR PHOSPHATASE HALOACID-DEHALOGENASE MANNOSE-6-PHOSPHATE UNKNOWN FUNCTION
Ref.: CAP-DOMAIN CLOSURE ENABLES DIVERSE SUBSTRATE RECOGN THE C2-TYPE HALOACID DEHALOGENASE-LIKE SUGAR PHOSPH PLASMODIUM FALCIPARUM HAD1. ACTA CRYSTALLOGR. D BIOL. V. 71 1824 2015 CRYSTALLOGR.
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4ZEV - M6P C6 H13 O9 P C([C@@H]1[....
2 4ZEW - G6P C6 H13 O9 P C([C@@H]1[....
3 4ZEX - G3H C3 H7 O6 P C([C@H](C=....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4ZEV - M6P C6 H13 O9 P C([C@@H]1[....
2 4ZEW - G6P C6 H13 O9 P C([C@@H]1[....
3 4ZEX - G3H C3 H7 O6 P C([C@H](C=....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4ZEV - M6P C6 H13 O9 P C([C@@H]1[....
2 4ZEW - G6P C6 H13 O9 P C([C@@H]1[....
3 4ZEX - G3H C3 H7 O6 P C([C@H](C=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: M6P; Similar ligands found: 43
No: Ligand ECFP6 Tc MDL keys Tc
1 M6P 1 1
2 M6D 1 1
3 A6P 1 1
4 BG6 1 1
5 BGP 1 1
6 G6P 1 1
7 RP5 0.8 0.902439
8 HSX 0.8 0.902439
9 ABF 0.8 0.902439
10 AHG 0.621622 0.795455
11 4R1 0.590909 0.829787
12 GLP 0.590909 0.829787
13 RF5 0.571429 0.8
14 50A 0.571429 0.8
15 BMX 0.55102 0.75
16 4QY 0.55102 0.75
17 16G 0.55102 0.75
18 EMZ 0.55 0.636364
19 GRF 0.547619 0.692308
20 NNG 0.530612 0.75
21 FDQ 0.511111 0.777778
22 G16 0.5 0.951219
23 PRP 0.5 0.880952
24 RI2 0.5 0.857143
25 D6G 0.468085 0.951219
26 GAL 0.461538 0.675
27 GIV 0.461538 0.675
28 GAL GAL 0.461538 0.675
29 BGC 0.461538 0.675
30 BGC GAL 0.461538 0.675
31 MAN 0.461538 0.675
32 WOO 0.461538 0.675
33 BMA 0.461538 0.675
34 GXL 0.461538 0.675
35 GLA 0.461538 0.675
36 GLC 0.461538 0.675
37 ALL 0.461538 0.675
38 GLC GLC 0.461538 0.675
39 N 0.444444 0.777778
40 PPC 0.442308 0.822222
41 BGC GLC GLC GLC GLC 0.433962 0.674419
42 BGC GLC GLC GLC GLC GLC 0.433962 0.674419
43 QIF 0.4 0.951219
Similar Ligands (3D)
Ligand no: 1; Ligand: M6P; Similar ligands found: 369
No: Ligand Similarity coefficient
1 3LJ 0.9573
2 F6P 0.9518
3 F1P 0.9502
4 PMP 0.9462
5 PLP 0.9460
6 1QV 0.9448
7 TA6 0.9441
8 NPL 0.9402
9 6HP 0.9385
10 PXP 0.9329
11 PTS 0.9304
12 PLR 0.9241
13 3Y7 0.9239
14 M7P 0.9226
15 PLP PMP 0.9219
16 F5C 0.9196
17 GT1 0.9160
18 L21 0.9150
19 1VQ 0.9141
20 EBQ 0.9135
21 F1X 0.9133
22 HPT 0.9126
23 SG2 0.9126
24 N2M 0.9125
25 FER 0.9111
26 GPM 0.9102
27 J5B 0.9088
28 GJK 0.9075
29 G1P 0.9073
30 X04 0.9070
31 8NX 0.9054
32 DEG 0.9052
33 STT 0.9042
34 M1P 0.9041
35 A5P 0.9040
36 KG1 0.9035
37 NTF 0.9034
38 IPD 0.9029
39 GFP 0.9028
40 ZYQ 0.9025
41 IL5 0.9022
42 AC2 0.9021
43 5WN 0.9021
44 GZV 0.9014
45 O2Y 0.9010
46 NQH 0.9008
47 289 0.9002
48 ZIP 0.8998
49 P0P 0.8997
50 MP5 0.8986
51 JV4 0.8985
52 MTS 0.8980
53 CR1 0.8976
54 9BF 0.8976
55 5WM 0.8976
56 6Q3 0.8975
57 AMR 0.8974
58 2HC 0.8973
59 JVA 0.8973
60 FUZ 0.8971
61 N7I 0.8971
62 E9S 0.8968
63 9F8 0.8968
64 GO8 0.8967
65 GI4 0.8963
66 RGG 0.8961
67 61M 0.8955
68 4AB 0.8955
69 TL6 0.8955
70 6J9 0.8952
71 EXD 0.8950
72 7ZL 0.8950
73 ZME 0.8946
74 RP3 0.8944
75 TU0 0.8944
76 GI3 0.8937
77 ARP 0.8935
78 7I2 0.8935
79 68A 0.8929
80 C9M 0.8926
81 P7Y 0.8924
82 FF2 0.8923
83 APS 0.8921
84 HBI 0.8916
85 H2B 0.8916
86 F34 0.8915
87 MMS 0.8911
88 CHQ 0.8910
89 3D8 0.8909
90 KTW 0.8908
91 NIY 0.8908
92 1X8 0.8906
93 HHS 0.8905
94 MPP 0.8899
95 YOF 0.8899
96 QMS 0.8894
97 MBP 0.8893
98 5OO 0.8891
99 CIY 0.8890
100 3IL 0.8890
101 H4B 0.8887
102 K25 0.8887
103 OX2 0.8887
104 2K8 0.8884
105 TRP 0.8880
106 CGW 0.8879
107 DAH 0.8879
108 OSB 0.8879
109 ESI 0.8878
110 2GQ 0.8877
111 DHC 0.8877
112 LIP 0.8876
113 TB8 0.8876
114 7AP 0.8874
115 ZEC 0.8873
116 344 0.8872
117 V1T 0.8871
118 SER MAN 0.8868
119 CTE 0.8867
120 GZ2 0.8866
121 PVQ 0.8866
122 GI1 0.8866
123 ONZ 0.8866
124 6J5 0.8865
125 CC5 0.8863
126 AMQ 0.8863
127 IOP 0.8862
128 CPW 0.8861
129 96Z 0.8860
130 B4O 0.8860
131 H35 0.8860
132 TZP 0.8860
133 8MP 0.8859
134 2LT 0.8859
135 X1P 0.8859
136 56N 0.8858
137 MUK 0.8858
138 FWD 0.8853
139 4GP 0.8851
140 QUB 0.8851
141 PVK 0.8849
142 OUB 0.8849
143 790 0.8849
144 6GP 0.8846
145 DEZ 0.8842
146 MD6 0.8839
147 N91 0.8837
148 BIO 0.8837
149 KF5 0.8835
150 JR2 0.8835
151 26E 0.8829
152 R52 0.8829
153 NBV 0.8829
154 R5P 0.8829
155 GXG 0.8827
156 I4D 0.8824
157 GB4 0.8822
158 GA2 0.8821
159 ZEZ 0.8821
160 2KU 0.8821
161 F6R 0.8821
162 6DP 0.8816
163 A1Y 0.8814
164 QR2 0.8813
165 AX3 0.8811
166 XFE 0.8811
167 2O6 0.8809
168 PE2 0.8809
169 8U3 0.8808
170 4FE 0.8808
171 CWD 0.8807
172 DXK 0.8805
173 9KH 0.8804
174 Q5M 0.8804
175 NAG 0.8801
176 9GP 0.8799
177 3VX 0.8798
178 363 0.8798
179 XQI 0.8797
180 KYN 0.8796
181 505 0.8795
182 YO5 0.8794
183 LTN 0.8793
184 DER 0.8790
185 7L4 0.8789
186 CL9 0.8786
187 F06 0.8783
188 TZM 0.8782
189 22L 0.8780
190 IOS 0.8778
191 54X 0.8778
192 P80 0.8778
193 EVF 0.8775
194 5RP 0.8775
195 MXD 0.8774
196 JOV 0.8772
197 78P 0.8772
198 55D 0.8770
199 BWD 0.8770
200 MUR 0.8770
201 BY5 0.8769
202 SXX 0.8766
203 NEU 0.8765
204 A4V 0.8765
205 ZYV 0.8761
206 0W1 0.8758
207 DTR 0.8756
208 GC3 0.8755
209 HE8 0.8754
210 CLU 0.8753
211 4BY 0.8750
212 25O 0.8749
213 HBO 0.8746
214 4TP 0.8744
215 3B4 0.8744
216 ZON 0.8739
217 GHM 0.8738
218 SLY 0.8737
219 0FK 0.8737
220 5OF 0.8735
221 M3Q 0.8735
222 X0T 0.8734
223 NBG 0.8733
224 57O 0.8728
225 1A7 0.8726
226 TLM 0.8723
227 NDG 0.8722
228 HJH 0.8722
229 TOH 0.8722
230 AM1 0.8718
231 GNG 0.8717
232 3ZB 0.8715
233 N88 0.8715
234 67Y 0.8714
235 3D1 0.8714
236 RUG 0.8714
237 PH2 0.8713
238 ZSP 0.8711
239 PA5 0.8710
240 XCG 0.8710
241 S3C 0.8709
242 JF2 0.8708
243 5NN 0.8706
244 I2E 0.8705
245 K3Q 0.8703
246 IWD 0.8702
247 8G6 0.8702
248 IBC 0.8698
249 5WS 0.8693
250 JP2 0.8692
251 MPU 0.8692
252 YTX 0.8689
253 HJ8 0.8688
254 5V7 0.8687
255 GAT 0.8687
256 X48 0.8686
257 B23 0.8685
258 BGU 0.8684
259 5AD 0.8684
260 BPY 0.8684
261 CG8 0.8683
262 5WT 0.8680
263 GO2 0.8680
264 GC2 0.8680
265 1PS 0.8679
266 M1Z 0.8678
267 F40 0.8678
268 BZE 0.8676
269 3L1 0.8675
270 B61 0.8674
271 AVX 0.8674
272 293 0.8673
273 2CZ 0.8673
274 ZEA 0.8672
275 LSQ 0.8671
276 SYE 0.8671
277 EN1 0.8670
278 ALX 0.8670
279 GRX 0.8667
280 IYR 0.8667
281 NPA 0.8665
282 LJ4 0.8664
283 PW1 0.8663
284 8WT 0.8662
285 164 0.8660
286 2M8 0.8659
287 12R 0.8658
288 KLV 0.8658
289 IBM 0.8657
290 7MX 0.8655
291 14W 0.8654
292 M3N 0.8653
293 IPT 0.8653
294 ZZU 0.8650
295 4WF 0.8650
296 QIV 0.8648
297 HJB 0.8647
298 878 0.8644
299 NLQ 0.8644
300 TCA 0.8642
301 EYV 0.8640
302 MUX 0.8639
303 ZRK 0.8638
304 R1P 0.8637
305 JND 0.8636
306 SKF 0.8635
307 JYT 0.8635
308 S7A 0.8634
309 0FR 0.8633
310 96R 0.8633
311 P81 0.8633
312 KYA 0.8632
313 BM3 0.8632
314 92O 0.8631
315 IAC 0.8631
316 TMG 0.8631
317 DI6 0.8630
318 THM 0.8627
319 GXD 0.8626
320 TSR 0.8626
321 C4E 0.8623
322 AZC 0.8623
323 HC4 0.8622
324 MQG 0.8622
325 AKD 0.8622
326 P4L 0.8620
327 AJD 0.8618
328 DHY 0.8618
329 3GX 0.8617
330 HA5 0.8616
331 977 0.8615
332 25X 0.8615
333 VXX 0.8614
334 S0G 0.8612
335 ZRL 0.8609
336 78U 0.8606
337 NLA 0.8601
338 JF1 0.8601
339 3DT 0.8600
340 ESX 0.8597
341 ALE 0.8597
342 BRH 0.8594
343 DG2 0.8594
344 512 0.8592
345 JF4 0.8592
346 0J5 0.8590
347 8Y7 0.8585
348 Q2Z 0.8584
349 1X4 0.8584
350 7MK 0.8570
351 LVD 0.8570
352 4KL 0.8568
353 657 0.8563
354 HPP 0.8562
355 UKV 0.8561
356 HJ7 0.8559
357 L22 0.8559
358 MFZ 0.8557
359 3C4 0.8555
360 2FX 0.8554
361 4BX 0.8544
362 PBG 0.8544
363 XIZ 0.8543
364 RES 0.8541
365 1VK 0.8540
366 4XF 0.8537
367 36E 0.8529
368 1V1 0.8524
369 S0W 0.8509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZEV; Ligand: M6P; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 4zev.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1L7N AF3 9.95261
2 1L7N ALF 9.95261
3 1L7N AF3 9.95261
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