Receptor
PDB id Resolution Class Description Source Keywords
1PX8 2.4 Å EC: 3.2.1.37 CRYSTAL STRUCTURE OF BETA-D-XYLOSIDASE FROM THERMOANAEROBACT SACCHAROLYTICUM, A FAMILY 39 GLYCOSIDE HYDROLASE THERMOANAEROBACTERIUM SACCHAROLYTICUM FAMILY 39 GLYCOSIDE HYDROLASE XYLOSIDASE XYLAN XYLOSE COGLYCOSYL-ENZYME INTERMEDIATE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF BETA-D-XYLOSIDASE FROM THERMOANAEROBACTERIUM SACCHAROLYTICUM, A FAMILY 39 HYDROLASE. J.MOL.BIOL. V. 335 155 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XYP A:601;
B:701;
Valid;
Valid;
none;
none;
submit data
150.13 C5 H10 O5 C1[C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PX8 2.4 Å EC: 3.2.1.37 CRYSTAL STRUCTURE OF BETA-D-XYLOSIDASE FROM THERMOANAEROBACT SACCHAROLYTICUM, A FAMILY 39 GLYCOSIDE HYDROLASE THERMOANAEROBACTERIUM SACCHAROLYTICUM FAMILY 39 GLYCOSIDE HYDROLASE XYLOSIDASE XYLAN XYLOSE COGLYCOSYL-ENZYME INTERMEDIATE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF BETA-D-XYLOSIDASE FROM THERMOANAEROBACTERIUM SACCHAROLYTICUM, A FAMILY 39 HYDROLASE. J.MOL.BIOL. V. 335 155 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1PX8 - XYP C5 H10 O5 C1[C@H]([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1PX8 - XYP C5 H10 O5 C1[C@H]([C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1PX8 - XYP C5 H10 O5 C1[C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XYP; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP 1 1
2 0MK 1 1
3 RIP 1 1
4 LXC 1 1
5 ARA 1 1
6 ARB 1 1
7 XYS 1 1
8 HSY 1 1
9 BXP 0.414634 0.84375
10 XYP XYP 0.414634 0.84375
11 XYS XYP 0.414634 0.84375
12 XYS XYS 0.414634 0.84375
13 XYP XYS 0.414634 0.84375
14 FU4 0.4 0.896552
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PX8; Ligand: XYP; Similar sites found: 574
This union binding pocket(no: 1) in the query (biounit: 1px8.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3SUC ATP 0.01148 0.40075 1
2 4RJK PYR 0.0001847 0.4834 1.2
3 3LIH RAF 0.0006261 0.45776 1.2
4 1Q0H NDP 0.007263 0.44524 1.23153
5 1Q0H FOM 0.02274 0.41994 1.23153
6 3NYQ MCA 0.001057 0.46829 1.4
7 3NYQ AMP 0.02318 0.40833 1.4
8 3A2Q ACA ACA 0.003522 0.42361 1.41988
9 4NTD FAD 0.02405 0.41267 1.47059
10 3LZW NAP 0.0209 0.42969 1.50602
11 3LZW FAD 0.03161 0.40709 1.50602
12 3RO7 TDR 0.006699 0.42665 1.50943
13 3K37 BCZ 0.0305 0.43112 1.51134
14 4HZX G39 0.0075 0.43729 1.54639
15 2J0W ADP 0.00218 0.43247 1.55902
16 3ZRR PXG 0.001661 0.44166 1.5625
17 1NW5 SAM 0.01239 0.404 1.5674
18 3ZPG 5GP 0.002366 0.44186 1.57068
19 3LPF Z77 0.0000001205 0.63612 1.6
20 3Q9T FAY 0.0007218 0.48346 1.6
21 1V7W NAG 0.0001979 0.4688 1.6
22 1V7W NDG 0.0001979 0.4688 1.6
23 3UR0 SVR 0.01326 0.43027 1.6
24 2IMP NAI 0.03813 0.42619 1.67015
25 1WVG CXY 0.001406 0.44861 1.67131
26 1WVG APR 0.008393 0.41943 1.67131
27 4N02 FNR 0.0157 0.43229 1.68067
28 4C0C WVH 0.02716 0.41543 1.71306
29 1R37 NAD 0.005234 0.43913 1.72911
30 3V1U NAD 0.01868 0.40397 1.7316
31 1I2B NAD 0.04437 0.41166 1.73267
32 1I2B UPG 0.04437 0.41166 1.73267
33 1I2B USQ 0.04437 0.41166 1.73267
34 3U4C NDP 0.001762 0.45407 1.77936
35 1P72 THM 0.0023 0.41619 1.79641
36 1P72 ADP 0.03104 0.40027 1.79641
37 1TIW FAD 0.001432 0.46967 1.8
38 1TIW TFB 0.001432 0.46967 1.8
39 4O8A FAD 0.001269 0.46332 1.8
40 3F3E LEU 0.005322 0.44215 1.8
41 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.01047 0.43149 1.8
42 1N6B DMZ 0.01456 0.42187 1.8
43 4OE4 NAD 0.01513 0.41393 1.8
44 4IVG ANP 0.01153 0.41032 1.8
45 1RY2 AMP 0.01742 0.40533 1.8
46 1JA9 PYQ 0.01419 0.41333 1.82482
47 1P4C FMN 0.03844 0.42081 1.84211
48 1YKI FMN 0.02743 0.41415 1.84332
49 1OTH PAO 0.01691 0.4135 1.86916
50 2PT9 2MH 0.0267 0.40656 1.86916
51 2NX1 RP5 0.00109 0.46189 1.87266
52 1SNY NAP 0.005781 0.42809 1.87266
53 2NX1 PEP 0.009381 0.4201 1.87266
54 2XVE FAD 0.01131 0.44472 1.93966
55 2H8Z 8CM 0.007074 0.42695 1.94986
56 2H8Z FMN 0.007074 0.42695 1.94986
57 2GSD NAD 0.0004226 0.49046 1.99005
58 1DLJ UGA 0.00382 0.46024 1.99005
59 1DLJ NAI 0.005324 0.45333 1.99005
60 3II1 BGC 0.000003552 0.59737 2
61 3MPI GRA 0.02484 0.42332 2.01511
62 4QED NAP 0.005424 0.43347 2.01613
63 1TOI HCI 0.001676 0.45503 2.0202
64 1MDZ DCS 0.002907 0.4496 2.03562
65 1MDZ PLP 0.002727 0.4496 2.03562
66 4OJ8 AKG 0.004343 0.42367 2.04778
67 4OJ8 2TQ 0.00632 0.42015 2.04778
68 3OND ADN 0.002048 0.47142 2.04918
69 3OND NAD 0.002048 0.47142 2.04918
70 4QDC ASD 0.007936 0.42266 2.05128
71 2DUA OXL 0.002565 0.43353 2.06897
72 4P3H 25G 0.02415 0.41787 2.07254
73 4Q3R XA2 0.01649 0.40639 2.07792
74 1Y9Q MED 0.000135 0.47061 2.08333
75 1R0X ATP 0.004693 0.44011 2.0979
76 1G0N PHH 0.003985 0.45212 2.12014
77 1G0N NDP 0.003803 0.44999 2.12014
78 1LDM NAD 0.01146 0.44573 2.12766
79 4PBG BGP 0.0001762 0.46567 2.13675
80 4LXH C1E 0.004093 0.42083 2.16606
81 3CXO 3LR 0.0106 0.41905 2.16867
82 3CXO 1N5 0.01387 0.41625 2.16867
83 2BLE 5GP 0.004165 0.46458 2.17984
84 3IHB GLU 0.0008123 0.41384 2.19298
85 3QP4 HL0 0.0001735 0.40021 2.1978
86 2C31 ADP 0.005817 0.46396 2.2
87 4JIE BMA 0.0006658 0.46169 2.2
88 2C31 TZD 0.008422 0.45655 2.2
89 4IOK ADP 0.005145 0.43035 2.2
90 4AF0 IMP 0.02767 0.41741 2.2
91 2ZWS PLM 0.0265 0.40708 2.2
92 1ZUW DGL 0.004294 0.40806 2.20588
93 4DXJ IPE 0.003007 0.41438 2.20994
94 4DXJ 0M9 0.005482 0.40634 2.20994
95 3OIG IMJ 0.006116 0.43485 2.25564
96 3OIG NAD 0.04808 0.41246 2.25564
97 2OD9 A1R NCA 0.001508 0.45854 2.27273
98 2QQF A1R 0.001241 0.45622 2.27273
99 3FXU TSU 0.006489 0.42287 2.29508
100 2AE2 NAP 0.01255 0.42781 2.30769
101 2AE2 PTO 0.01255 0.42781 2.30769
102 3ICC NAP 0.01627 0.41427 2.35294
103 3RHZ UDP 0.006542 0.41412 2.35988
104 2E40 LGC 0.00003162 0.52799 2.36559
105 4UAL 3FV 0.0009402 0.448 2.38663
106 4HA6 FAD 0.001621 0.47245 2.4
107 2ZJ3 G6P 0.002048 0.43774 2.4
108 1NOW IFG 0.001175 0.42469 2.4
109 3OZG SSI 0.006997 0.40885 2.4
110 2I4O ATP 0.006616 0.40296 2.40175
111 4I9A NCN 0.02785 0.40007 2.43056
112 1V35 NAI 0.008652 0.43633 2.43161
113 2XK9 XK9 0.004612 0.44164 2.48447
114 1X8X TYR 0.001708 0.42724 2.48447
115 4USQ FAD 0.005369 0.43862 2.49307
116 1PFK ADP 0.004697 0.41617 2.5
117 4KQI RBZ 0.02071 0.40832 2.52809
118 4KQI NIO 0.02071 0.40832 2.52809
119 3O2K QRP 0.0006037 0.40854 2.53165
120 3N5O GSH 0.003525 0.42563 2.55319
121 1FP2 HMO 0.003203 0.42321 2.55682
122 4FR3 0V4 0.03489 0.42457 2.5641
123 4M51 BEZ 0.01206 0.40145 2.57611
124 1F3F D4D 0.005795 0.43936 2.58065
125 1F3F D4T 0.01243 0.43936 2.58065
126 3CKZ ZMR 0.01472 0.42548 2.5974
127 1ECC PCP 0.0002433 0.48378 2.6
128 2VJJ RAM GLC GAL NAG NAG GLC 0.003593 0.46109 2.6
129 2BJK NAD 0.007252 0.44886 2.6
130 1GJW MAL 0.0002131 0.41935 2.6
131 1XC6 GAL 0.001581 0.41843 2.6
132 4EPM AMP 0.01096 0.41129 2.6
133 1NZY BCA 0.002723 0.44414 2.60223
134 2EFJ SAH 0.002616 0.4291 2.60417
135 2EFJ 37T 0.005075 0.40226 2.60417
136 3BL6 FMC 0.0005175 0.4613 2.6087
137 2HGZ PBF 0.005727 0.42527 2.61438
138 2P69 PLP 0.004176 0.40263 2.61438
139 4R33 TRP 0.01651 0.41511 2.61905
140 4R33 SAH 0.01651 0.41511 2.61905
141 2C7G ODP 0.0008571 0.49476 2.63158
142 2C7G FAD 0.03013 0.42058 2.63158
143 1ZFJ IMP 0.02634 0.44072 2.64766
144 2O9R TCB 0.0002423 0.42092 2.65487
145 3PFG SAM 0.01643 0.42231 2.6616
146 3PFG TLO 0.01643 0.42231 2.6616
147 3GNP SOG 0.00005742 0.45062 2.66393
148 4G28 0W8 0.005769 0.40281 2.68456
149 1VJT NAD 0.01223 0.40425 2.69151
150 3H22 B53 0.003198 0.41601 2.6936
151 1A8R GTP 0.004631 0.42246 2.71493
152 1KTC NGA 0.000007024 0.49784 2.71605
153 3MTW M3R 0.008712 0.40482 2.72953
154 3CKJ CIT 0.0009227 0.46355 2.73556
155 1C0I BE2 0.001644 0.4741 2.75482
156 1C0I FAD 0.001644 0.4741 2.75482
157 4LWA Q13 0.02885 0.40988 2.75482
158 1ZK7 FAD 0.01782 0.42499 2.78373
159 2DTJ THR 0.005193 0.40731 2.80899
160 4CD6 IFM BMA 0.001414 0.43681 2.8125
161 2YPO PHE 0.007621 0.4268 2.81385
162 1IUP ALQ 0.005884 0.43188 2.83688
163 1PEA ACM 0.001549 0.44174 2.85714
164 1JIL 485 0.002215 0.43627 2.85714
165 2BNF UTP 0.003616 0.451 2.90456
166 1UWZ THU 0.02201 0.40123 2.94118
167 4PLG NAI 0.008458 0.43282 2.99401
168 4PLG OXM 0.008458 0.43282 2.99401
169 2QA1 FAD 0.004506 0.44327 3
170 1KWK GAL 0.003273 0.41974 3
171 3S2Y FMN 0.008847 0.40849 3.01508
172 2VHJ ADP 0.005442 0.41944 3.02115
173 1ZZ7 S0H 0.0007485 0.42116 3.0303
174 3P0F BAU 0.007086 0.40862 3.0303
175 1UJ5 5RP 0.008708 0.40043 3.0837
176 2WR8 SAH 0.03778 0.40057 3.0888
177 1V2X SAM 0.0007496 0.45654 3.09278
178 1D6H COA 0.002848 0.46093 3.10078
179 2Y24 XYP XYP GCV XYP 0.007712 0.40252 3.13316
180 2IXB NAD 0.009268 0.42421 3.15315
181 2IXB A2G 0.01618 0.42072 3.15315
182 3WO0 ADP 0.001396 0.46785 3.19149
183 3WO0 ALA 0.001396 0.46785 3.19149
184 3T1A 5MA 0.00377 0.42438 3.2
185 3UER BTU 0.003326 0.41785 3.2
186 3UER TUR 0.003326 0.41785 3.2
187 2JC9 ADN 0.004535 0.40424 3.2
188 2YGN PCF 0.008253 0.42394 3.20513
189 1Z44 NPO 0.002811 0.45801 3.25444
190 1Z42 FMN 0.0008487 0.44252 3.25444
191 1C3V NDP 0.01707 0.41215 3.26531
192 3PLN U5P 0.002077 0.40381 3.30189
193 1VDC FAD 0.00558 0.4507 3.3033
194 1T8U A3P 0.005593 0.41893 3.30882
195 1T8U UAP SGN IDS SGN 0.03502 0.40499 3.30882
196 2GWD GLU 0.001053 0.40582 3.34076
197 1ZGA SAH 0.00978 0.40057 3.36134
198 2YFT DQR 0.001734 0.43446 3.4
199 4E8C GAL 0.005695 0.422 3.4
200 1H16 PYR 0.0008517 0.40488 3.4
201 1RYI GOA 0.008976 0.43741 3.40314
202 1RYI FAD 0.009523 0.43437 3.40314
203 4CMF PXG 0.02498 0.42106 3.41615
204 3RJY GLC 0.001633 0.43193 3.4375
205 3HY3 10F 0.0003677 0.47592 3.44828
206 3IU9 T07 0.04124 0.41515 3.47222
207 1OAA OAA 0.02233 0.41866 3.4749
208 4LSJ LSJ 0.0007145 0.45947 3.48837
209 2TPL HPP 0.004104 0.43321 3.50877
210 1R18 SAH 0.007074 0.41801 3.52423
211 1Y42 TYR 0.001152 0.41492 3.57143
212 4KS1 2H8 0.01625 0.42522 3.58974
213 4G09 0VD 0.004876 0.41549 3.6
214 4MWV BCZ 0.01246 0.42502 3.60825
215 2PNZ UDP 0.01633 0.40657 3.61011
216 2B4Q NAP 0.0006968 0.47364 3.62319
217 1WUR 8DG 0.009478 0.41245 3.63636
218 1NML CIT 0.003359 0.40953 3.68098
219 1Q6O LG6 0.007449 0.4077 3.7037
220 1O9U ADZ 0.005072 0.42622 3.71429
221 1D3V ABH 0.01199 0.41255 3.71517
222 1NN5 2DT 0.01399 0.41486 3.72093
223 1NN5 ANP 0.01399 0.41486 3.72093
224 1T26 NAI 0.04559 0.42754 3.72671
225 1T26 GBD 0.04559 0.42754 3.72671
226 3IL6 B83 0.001302 0.44621 3.73832
227 1KYV RBF 0.004125 0.42069 3.77358
228 1CL2 PPG 0.01075 0.40667 3.79747
229 1Z45 NAD 0.005315 0.43387 3.8
230 1Z45 UPG 0.003499 0.42577 3.8
231 4AT0 FAD 0.02069 0.42349 3.8
232 3WD1 ST7 0.01787 0.42326 3.8
233 4LCQ URQ 0.01082 0.41864 3.8
234 1Z45 GAL 0.002095 0.41783 3.8
235 3FED BIX 0.01063 0.40316 3.8
236 2HVW DCP 0.001749 0.43195 3.80435
237 2HVW DDN 0.002483 0.42557 3.80435
238 4B7J G39 0.01285 0.4201 3.83795
239 1LC8 33P 0.0008166 0.46591 3.84615
240 1RZM E4P 0.004597 0.41335 3.84615
241 3BLI ACO 0.002716 0.43615 3.85757
242 1JCM 137 0.005729 0.43107 3.861
243 1UZ4 IFL 0.002664 0.43012 3.86364
244 4BT5 23B 0.0008294 0.43725 3.89105
245 1H2B NAJ 0.0268 0.40542 3.89972
246 1LL2 UPG 0.01443 0.40283 3.9039
247 3M0J OAF 0.03061 0.40054 3.90879
248 1TUF AZ1 0.02001 0.40123 3.91705
249 3IB8 AMP 0.0001864 0.47269 3.93939
250 1UCN ADP 0.001366 0.43645 3.94737
251 1QR0 COA 0.004598 0.4095 3.94737
252 3TXO 07U 0.002092 0.42869 3.96601
253 1Y52 BTN 0.01863 0.42065 3.96825
254 1QPB TPP 0.008193 0.42134 4
255 1QPB PYM 0.01059 0.41638 4
256 3IOI 1GW 0.01467 0.41633 4.02685
257 1FIQ FAD 0.0005481 0.48397 4.10959
258 2GDZ NAD 0.003887 0.44 4.11985
259 1FS5 TLA 0.00643 0.42675 4.13534
260 1R6D NAD 0.004807 0.45785 4.1543
261 1R6D DAU 0.005093 0.45586 4.1543
262 2W3L DRO 0.002938 0.43742 4.16667
263 2QCX PF1 0.001492 0.42054 4.18251
264 4WX0 HXD 0.00463 0.41644 4.18251
265 1XVV CCQ 0.01542 0.42266 4.2
266 2AMV BIN 0.04317 0.40951 4.2
267 4AQL TXC 0.0009964 0.44693 4.20168
268 1DXY NAD 0.002154 0.44718 4.2042
269 1V2G OCA 0.0004971 0.45218 4.21053
270 1PL6 572 0.01511 0.41688 4.21348
271 1EP2 FMN 0.001319 0.45821 4.21456
272 1EP2 ORO 0.005746 0.43727 4.21456
273 1EP2 FAD 0.01804 0.40175 4.21456
274 9LDB NAD 0.006963 0.42985 4.21687
275 2Q8M AMP 0.001831 0.42863 4.21687
276 9LDT NAD 0.007501 0.42838 4.21687
277 2OWZ F6P 0.006883 0.41121 4.21687
278 2OWZ CIT 0.002442 0.40317 4.21687
279 1TO9 HMH 0.001058 0.41871 4.23077
280 4I71 AGV 0.007425 0.41176 4.24242
281 4NM5 ADP 0.0008197 0.45882 4.24403
282 2Q1S NAI 0.003416 0.4572 4.24403
283 2R14 FMN 0.01433 0.4105 4.24403
284 2R14 TXD 0.02762 0.4026 4.24403
285 4PO2 ASN ARG LEU LEU LEU THR GLY 0.003703 0.43028 4.25532
286 2PWY SAH 0.003108 0.43532 4.26357
287 4DQ2 BTX 0.01167 0.41715 4.26829
288 2J07 HDF 0.004578 0.45564 4.28571
289 2J07 FAD 0.004578 0.45564 4.28571
290 4USS GSH 0.003949 0.40668 4.30769
291 3ZS7 ATP 0.001646 0.44564 4.33333
292 1YOE RIB 0.000926 0.4666 4.34783
293 3C1O NAP 0.008133 0.41854 4.36137
294 4A6D SAM 0.000436 0.46667 4.4
295 2XCG XCG 0.001807 0.455 4.4
296 1R27 MGD 0.003082 0.452 4.4
297 3AHC TPP 0.007772 0.42642 4.4
298 3BK2 U5P 0.006554 0.40558 4.4
299 3UCJ AZM 0.00581 0.40268 4.40529
300 2YVF NAD 0.02456 0.42815 4.41176
301 2YVF FAD 0.02386 0.42815 4.41176
302 4M5P 23W 0.001377 0.44405 4.4226
303 4M5P MLA 0.02247 0.40273 4.4226
304 1OMZ UD2 0.02177 0.41918 4.43686
305 3GEG NAD 0.006507 0.42722 4.45344
306 4COQ SAN 0.003912 0.40981 4.45344
307 4W97 UCA 0.002296 0.44277 4.5
308 2WE5 ADP 0.007156 0.40627 4.51613
309 4NES UD1 0.001745 0.43871 4.54545
310 4NES UDP 0.00397 0.42139 4.54545
311 4DVE BTN 0.004641 0.40933 4.54545
312 1M5B BN1 0.006666 0.45321 4.56274
313 4QN7 G39 0.004991 0.44123 4.61538
314 2QLX RM4 0.008545 0.40167 4.62963
315 2J7T 274 0.002469 0.44749 4.63576
316 1ULE GLA GAL NAG 0.002193 0.43493 4.66667
317 1Z34 2FD 0.04665 0.40857 4.68085
318 2HV8 GTP 0.001899 0.44639 4.6875
319 4TMK T5A 0.01056 0.42284 4.69484
320 1LTH NAD 0.03918 0.41297 4.70219
321 2F5T MAL 0.00773 0.411 4.72103
322 4IAE 1DX 0.01179 0.43638 4.7619
323 3FC2 IBI 0.003186 0.4439 4.77612
324 1KOL NAD 0.001931 0.46136 4.8
325 4UOZ GLA 0.009226 0.41169 4.8
326 2J8Z NAP 0.01341 0.41444 4.80226
327 4ARF IP8 GLY PRO ALA 0.006353 0.41063 4.82234
328 1VR0 3SL 0.004344 0.40785 4.8583
329 2PTZ PAH 0.0001985 0.4742 4.86111
330 2AZ3 CDP 0.003257 0.41007 4.87805
331 2NLI LAC 0.00537 0.4592 4.8913
332 2NLI FMN 0.005018 0.4592 4.8913
333 1IM8 SAI 0.00746 0.4153 4.91803
334 4C0X FMN 0.01545 0.40903 4.92611
335 4C0X AQN 0.02467 0.40485 4.92611
336 3PTQ NFG 0.00009748 0.43314 4.9505
337 1EYQ NAR 0.00491 0.40567 4.95496
338 2TOH HBI 0.0009483 0.45968 4.95627
339 2OYS FMN 0.003825 0.4279 4.95868
340 1UAY ADN 0.00528 0.41182 4.95868
341 4C1K PEP 0.005181 0.4019 4.96183
342 4NAT 2W5 0.007394 0.43553 5
343 3PVT 3HC 0.01679 0.41899 5.01931
344 4BAS GNP 0.01476 0.4024 5.02513
345 1GEX PLP HSA 0.01441 0.40899 5.05618
346 2Q2V NAD 0.001877 0.45826 5.09804
347 1C1L GAL BGC 0.00174 0.43162 5.10949
348 3PXP MYR 0.006564 0.41209 5.13699
349 4DL8 UMP AF3 PO4 0.003517 0.42762 5.17241
350 3GE7 AFQ 0.005401 0.43732 5.18135
351 3WE0 FAD 0.001487 0.47421 5.2
352 2E0P CTT 0.0003748 0.42897 5.2
353 3ZOD HQE 0.002854 0.44174 5.2356
354 3ZOD FMN 0.002854 0.44174 5.2356
355 4G1V FAD 0.01159 0.41598 5.26316
356 2AEB ABH 0.01318 0.42017 5.2795
357 1JH7 UVC 0.002802 0.40958 5.29101
358 1QF5 RPL 0.008207 0.44271 5.33643
359 1QF5 GDP 0.008207 0.44271 5.33643
360 2QIA U20 0.04637 0.40972 5.34351
361 1V7R CIT 0.001647 0.45903 5.37634
362 2CSN CKI 0.01232 0.41202 5.38721
363 4O1M NAD 0.01185 0.41814 5.39683
364 4CU7 GIF 0.0006688 0.43539 5.4
365 2V6O FAD 0.04238 0.42187 5.4
366 4K5S PM0 0.0133 0.43349 5.41045
367 1BDB NAD 0.01827 0.4392 5.41516
368 5YAS FAC 0.0004901 0.4496 5.44747
369 1LVL FAD 0.00272 0.46187 5.45852
370 1LVL NAD 0.0162 0.40064 5.45852
371 1B8U OAA 0.01427 0.41688 5.47112
372 2QJN KDG 0.002111 0.42852 5.47264
373 2OI2 DP6 0.002919 0.4202 5.47945
374 1ECM TSA 0.0008639 0.41151 5.50459
375 1Q3P GLU ALA GLN THR ARG LEU 0.004576 0.40693 5.50459
376 4M82 NGB 0.0000522 0.54479 5.51378
377 1E2S CSN 0.003594 0.41883 5.52147
378 1OLS TDP 0.004671 0.45172 5.55556
379 1KC7 PPR 0.0008703 0.41229 5.6
380 3PNL ADP 0.01123 0.40924 5.60224
381 1Q11 TYE 0.001664 0.40847 5.64516
382 1BTN I3P 0.008758 0.43916 5.66038
383 2WCV FUC 0.003306 0.4127 5.71429
384 1PR9 NAP 0.0023 0.45424 5.7377
385 3D3W NAP 0.002367 0.45108 5.7377
386 3O7B SAH 0.004627 0.42057 5.7377
387 1U7Z PMT 0.0018 0.45909 5.75221
388 1GAD NAD 0.003108 0.44009 5.75758
389 1H9G COA MYR 0.003456 0.43804 5.76132
390 1YBH FAD 0.007488 0.43733 5.8
391 1YBH P22 0.02553 0.40416 5.8
392 2X61 CH 0.001551 0.46204 5.81395
393 1DR1 HBI 0.0241 0.41166 5.82011
394 1DR1 NAP 0.0241 0.41166 5.82011
395 1I7L ATP 0.00007411 0.50638 5.82524
396 1KBJ FMN 0.004772 0.43031 5.82524
397 1V9N NDP 0.01588 0.41475 5.83333
398 2GJ3 FAD 0.0266 0.40277 5.83333
399 3ZLM ANP 0.004905 0.41948 5.85106
400 4M2K PLP 0.006058 0.40194 5.91133
401 1J5P NAD 0.002503 0.44578 5.92885
402 1POC GEL 0.002437 0.43041 5.97015
403 4NE2 SH2 0.002215 0.45744 5.98802
404 4NE2 ADP 0.03482 0.40016 5.98802
405 2JAR UMP 0.0005271 0.46096 6
406 2CKM AA7 0.01826 0.42106 6
407 3CMJ SRT 0.0000728 0.5177 6.02151
408 1WNG SAH 0.01445 0.40111 6.03774
409 3VPD ANP 0.0005698 0.46373 6.04982
410 2DTX BMA 0.01665 0.42111 6.06061
411 2HXT EHM 0.006047 0.40935 6.12245
412 1P9P SAH 0.005331 0.42338 6.13027
413 1IYE PGU 0.01188 0.41932 6.14887
414 1ML4 PAL 0.01784 0.4027 6.16883
415 4WNB 4BN 0.002462 0.43022 6.20155
416 3GM5 CIT 0.005362 0.40411 6.28931
417 3QDT A2G GAL 0.004231 0.42205 6.29371
418 3DX5 DHB 0.004157 0.4113 6.29371
419 3QDY A2G GAL 0.01283 0.40024 6.29371
420 1OIK C26 0.01003 0.40222 6.31229
421 2QDT I38 0.000438 0.45969 6.3197
422 1QY1 PRZ 0.001199 0.44973 6.32184
423 3AI0 PNW 0.000183 0.43867 6.3655
424 4KCF AKM 0.01354 0.40723 6.38767
425 4KCF FMN 0.009957 0.40236 6.38767
426 8CAT NDP 0.001365 0.4473 6.4
427 1YAG ATP 0.01375 0.40695 6.4
428 1TU3 GNP 0.00503 0.4293 6.43275
429 2H6T IVA VAL VAL STA ALA STA 0.002187 0.43241 6.47059
430 1V1A KDG 0.006174 0.41798 6.47249
431 1V1A ADP 0.01439 0.41305 6.47249
432 3PNA CMP 0.002813 0.41557 6.49351
433 2YBQ UP2 0.007774 0.43346 6.50685
434 2YBQ SAH 0.01092 0.40636 6.50685
435 2VOT NHV 0.0000642 0.45353 6.6
436 2DDH HXD 0.003001 0.43247 6.6
437 2DDH FAD 0.02319 0.40832 6.6
438 4P05 4NS 0.01328 0.40604 6.6
439 1I0Z OXM 0.01049 0.4113 6.60661
440 2VKL MLT 0.006063 0.43102 6.66667
441 4U9W COA 0.005086 0.41977 6.76329
442 2W62 BGC BGC BGC BGC BGC 0.01846 0.42648 6.8
443 3MAG 3MA 0.001746 0.45778 6.84039
444 1E7S NAP 0.008173 0.42791 6.85358
445 1A59 COA 0.002572 0.43149 6.87831
446 3WBF API 0.001842 0.45863 6.88525
447 3E4O SIN 0.003596 0.40523 6.88525
448 3WBF NAP 0.02668 0.40091 6.88525
449 4HZO COA 0.004299 0.40518 6.91824
450 2E2R 2OH 0.002707 0.45224 6.96721
451 1FP1 HCC 0.004687 0.42033 6.98925
452 1FP1 SAH 0.003843 0.41986 6.98925
453 2PUL ACP 0.002021 0.43166 7.0529
454 2F01 BTN 0.0199 0.43449 7.08661
455 2F01 BTQ 0.02252 0.43182 7.08661
456 3KJI ADP 0.003804 0.42005 7.08661
457 3MBG FAD 0.007621 0.42129 7.19424
458 1OGZ EQU 0.0005319 0.45095 7.2
459 3AI7 TPP 0.02395 0.41132 7.2
460 1MG1 MAL 0.008965 0.41351 7.33333
461 4JK3 NAD 0.00682 0.42767 7.33591
462 1KDK DHT 0.0001928 0.4862 7.34463
463 4GYW UDP 0.007055 0.43082 7.4
464 2P1O IHP 0.01334 0.4158 7.5
465 2P1O NLA 0.01334 0.4158 7.5
466 1GSA ADP 0.006144 0.4487 7.59494
467 1GSA GSH 0.01363 0.42704 7.59494
468 2X05 X05 0.001922 0.40906 7.6
469 1H6C NDP 0.0006995 0.4829 7.62125
470 1H6C SIN 0.001422 0.47093 7.62125
471 1H9A NAP 0.02141 0.41099 7.62887
472 1QO0 BMD 0.003779 0.41044 7.65306
473 1XX4 BAM 0.01517 0.40369 7.66284
474 1P9B IMO 0.0004352 0.47457 7.69231
475 2JEQ GAL BGC BGC BGC XYS BGC XYS 0.0002315 0.42627 7.8481
476 3U5S FAD 0.01168 0.40684 7.93651
477 2HW1 ANP 0.004329 0.42557 8.05369
478 3ZEI AWH 0.00621 0.4295 8.06452
479 4NVP 7CH 0.02764 0.4069 8.13397
480 1T0S BML 0.0027 0.43086 8.13953
481 1YOA FMN 0.03479 0.40084 8.1761
482 3T2W BTN 0.007637 0.40039 8.19672
483 4EXO PYR 0.01041 0.40436 8.21918
484 1RYD NDP 0.002419 0.45799 8.26873
485 2Q8H TF4 0.003973 0.43123 8.35381
486 1O68 KIV 0.002248 0.41659 8.36364
487 2H6B 3C4 0.03487 0.41681 8.4
488 1XHL NDP 0.002176 0.45405 8.41751
489 2RDT 2RD 0.0146 0.44175 8.52713
490 2Q97 ATP 0.002164 0.44046 8.52713
491 2A0W DIH 0.02684 0.40592 8.65052
492 3BHO B4P 0.007977 0.42511 8.65385
493 1QRD FAD 0.002905 0.43661 8.79121
494 3QQA TCH 0.005238 0.42371 8.7963
495 2EWM NAD 0.01251 0.41829 8.83534
496 3PJU C2E 0.02366 0.40073 8.83534
497 3H86 AP5 0.03998 0.40855 8.85417
498 1B55 4IP 0.001192 0.43893 8.87574
499 1UZN NAP 0.004145 0.41847 8.90688
500 4AIG FLX 0.004313 0.41064 8.95522
501 1NVU GTP 0.04917 0.40946 9.03614
502 3AYS CT3 0.00147 0.45125 9.04255
503 2OHV NHL 0.005239 0.40452 9.09091
504 2WM1 13P 0.005367 0.40128 9.22619
505 3O03 NAP 0.001237 0.45789 9.27835
506 3W54 RNB 0.004305 0.41554 9.42249
507 1T0I FMN 0.01049 0.40531 9.42408
508 2Z9V PXM 0.001536 0.40996 9.43878
509 3TCT 3MI 0.01299 0.43626 9.44882
510 2B82 ADN 0.005103 0.42246 9.47867
511 4W6Z 8ID 0.00509 0.44196 9.51009
512 1AUX AGS 0.003883 0.4218 9.6463
513 1BGQ RDC 0.00424 0.43409 9.77778
514 4PTX BGC 0.00004053 0.45478 9.95575
515 4A3R CIT 0.001684 0.46291 10
516 2DKH FAD 0.02422 0.40745 10
517 1ZS6 ADP 0.001105 0.40573 10.0592
518 3QO8 SSA 0.005413 0.41357 10.1031
519 3TA2 AKG 0.01107 0.4182 10.1695
520 3TA2 ATP 0.02662 0.40609 10.1695
521 1HDR NAD 0.04445 0.40818 10.2459
522 3BY8 MLT 0.003131 0.42057 10.5634
523 2WQP WQP 0.03596 0.40273 10.6017
524 1UXG FUM 0.008957 0.4327 10.6796
525 1UXG NAD 0.008957 0.4327 10.6796
526 3ZZS TRP 0.01774 0.41584 10.7692
527 2ALG HP6 0.0001713 0.48633 10.8696
528 2ALG DAO 0.0001713 0.48633 10.8696
529 4MZ7 DGT 0.004926 0.43536 11
530 4MZ7 DTP 0.007658 0.42671 11
531 1C7S CBS 0.0004768 0.40546 11.2
532 4D1J DGJ 0.0004071 0.47503 11.4
533 3S6T OAN 0.001989 0.43417 11.4
534 1Y1A GSH 0.00141 0.4783 11.4754
535 2V7T SAH 0.01277 0.45419 11.7057
536 1O7N IND 0.008506 0.41451 11.8557
537 1EDO NAP 0.04013 0.42097 11.8852
538 1NP0 NGT 0.001832 0.40957 12.069
539 2G86 UMP 0.02863 0.41745 12.3418
540 4CO3 ATP 0.01661 0.42433 12.5
541 3R35 4CO 0.001158 0.46513 12.5828
542 4BMO FMN 0.001728 0.44985 12.605
543 4INB 1F6 0.0008752 0.45364 13.0137
544 3DDC GNP 0.006001 0.4259 13.253
545 1Y13 BIO 0.006681 0.40279 13.2597
546 2R40 EPH 0.002617 0.44843 13.308
547 3RKR NAP 0.005421 0.40901 13.3588
548 1VQ2 DDN 0.006039 0.41363 13.4715
549 4LFL TG6 0.006382 0.40361 13.5802
550 1TDF NAP 0.005348 0.46578 13.9241
551 1TDF FAD 0.03008 0.4149 13.9241
552 1I36 NAP 0.0171 0.40277 14.0152
553 2YC5 6BC 0.01633 0.4175 14.0351
554 3GWT 066 0.001367 0.46186 14.1643
555 1YGC 905 0.01247 0.40388 14.2857
556 1SS4 CIT 0.000008708 0.64477 14.3791
557 1SS4 GSH 0.004721 0.44827 14.3791
558 3PMD 11A 0.003918 0.41237 14.3791
559 4BCS BTN 0.006613 0.40989 14.4
560 2HJ3 FAD 0.01421 0.40312 14.4
561 2D37 FMN 0.01734 0.40679 14.7727
562 2D37 NAD 0.02588 0.40027 14.7727
563 1SOW OXL 0.0003986 0.4049 15.5488
564 1SOW NAD 0.02721 0.40402 15.5488
565 3S9K CIT 0.00158 0.48928 16.1017
566 2D0V PQQ 0.003343 0.42857 16.6667
567 1CEN BGC BGC 0.0003668 0.4759 16.9096
568 4CCN OGA 0.001152 0.41742 17.1429
569 1L2T ATP 0.01232 0.40905 17.4468
570 2VAR ANP 0.003735 0.42835 17.5719
571 2VAR KDG 0.005331 0.40931 17.5719
572 3P0K FAD 0.005869 0.42155 18.797
573 1O0D 163 0.008335 0.40767 19.4444
574 4CCO OGA 0.0005524 0.42722 25
Pocket No.: 2; Query (leader) PDB : 1PX8; Ligand: XYP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1px8.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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