Receptor
PDB id Resolution Class Description Source Keywords
3OZG 1.99 Å EC: 2.4.2.8 CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM HYPOXANTHINE-GUAN XANTHINE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH S-SERME-P HOSPHONATE PLASMODIUM FALCIPARUM FCR-3/GAMBIA HYPOXANTHINE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: ACYCLIC IMMUCILLIN PHOSPHONATES: SECOND-GENERATION INHIBITORS OF PLASMODIUM FALCIPARUM HYPOXANTHINE-GUANINE-XANTHINE PHOSPHORIBOSYLTRANSFERASE. CHEM.BIOL. V. 19 721 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:234;
B:232;
C:234;
D:234;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
POP A:233;
B:234;
C:233;
D:233;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
175.959 H2 O7 P2 O[P@@...
SSI A:232;
B:233;
C:232;
D:232;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ki = 0.65 nM
316.25 C11 H17 N4 O5 P c1c(c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3OZG 1.99 Å EC: 2.4.2.8 CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM HYPOXANTHINE-GUAN XANTHINE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH S-SERME-P HOSPHONATE PLASMODIUM FALCIPARUM FCR-3/GAMBIA HYPOXANTHINE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: ACYCLIC IMMUCILLIN PHOSPHONATES: SECOND-GENERATION INHIBITORS OF PLASMODIUM FALCIPARUM HYPOXANTHINE-GUANINE-XANTHINE PHOSPHORIBOSYLTRANSFERASE. CHEM.BIOL. V. 19 721 2012
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 3OZF - HPA C5 H4 N4 O c1[nH]c2c(....
2 1CJB Kd = 1 nM IRP C11 H15 N4 O7 P c1c(c2c([n....
3 3OZG Ki = 0.65 nM SSI C11 H17 N4 O5 P c1c(c2c([n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3OZF - HPA C5 H4 N4 O c1[nH]c2c(....
2 1CJB Kd = 1 nM IRP C11 H15 N4 O7 P c1c(c2c([n....
3 3OZG Ki = 0.65 nM SSI C11 H17 N4 O5 P c1c(c2c([n....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3OZF - HPA C5 H4 N4 O c1[nH]c2c(....
2 1CJB Kd = 1 nM IRP C11 H15 N4 O7 P c1c(c2c([n....
3 3OZG Ki = 0.65 nM SSI C11 H17 N4 O5 P c1c(c2c([n....
4 2JBH - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
5 4IJQ Ki = 600 nM SV2 C11 H19 N5 O9 P2 c1nc2c(n1C....
6 5W8V Ki = 0.006 uM 9YP C12 H21 N5 O9 P2 c1nc2c(n1C....
7 5BRN Ki = 0.5 uM 4X2 C10 H15 N4 O6 P c1nc2c(n1C....
8 4RAC Ki = 0.03 uM 3L4 C12 H20 N6 O8 P2 c1nc2c(n1C....
9 1BZY Kd = 4.6 nM IMU C11 H16 N5 O7 P c1c(c2c([n....
10 4RAO Ki = 1 uM 3L7 C13 H21 N5 O8 P2 c1nc2c(n1C....
11 4RAB Ki = 0.04 uM 3L3 C13 H19 Br N6 O8 P2 C(CN(CCO/C....
12 4RAD - 3L5 C13 H24 N6 O8 P2 c1nc2c(n1C....
13 1HMP - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
14 1QK4 Kd = 61 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
15 1QK3 Kd = 7.1 uM 5GP C10 H14 N5 O8 P c1nc2c(n1[....
16 1FSG ic50 = 9.5 uM 9DG C6 H6 N4 O c1c[nH]c2c....
17 1QK5 - XMP C10 H14 N4 O9 P c1[nH+]c2c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SSI; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 SSI 1 1
2 JMQ 0.4 0.733333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3OZG; Ligand: SSI; Similar sites found: 474
This union binding pocket(no: 1) in the query (biounit: 3ozg.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ECM TSA 0.000173 0.46215 None
2 4F4S EFO 0.002948 0.41895 None
3 2YLD CMO 0.006235 0.4167 None
4 3F81 STT 0.01042 0.41629 None
5 2VKL MLT 0.02759 0.41218 None
6 3T2W BTN 0.002482 0.4114 None
7 2ALG DAO 0.0001929 0.41063 None
8 2ALG HP6 0.0001929 0.41063 None
9 1YRX FMN 0.001892 0.40629 None
10 2IYG FMN 0.002848 0.40438 None
11 4P9Z NMI PTR 02K ASN NH2 0.007597 0.40215 None
12 2Z9V PXM 0.000383 0.45511 1.2
13 3C3D FO1 0.008294 0.42965 1.2
14 2A9W UMP 0.02061 0.40233 1.2
15 3V78 ET 0.009835 0.40418 1.44231
16 1XX6 ADP 0.001088 0.42509 1.57068
17 3TKA CTN 0.001278 0.49873 1.6
18 1Y7I SAL 0.001553 0.43031 1.6
19 3QP4 HL0 0.0008028 0.41486 1.64835
20 3NOJ PYR 0.002012 0.42867 1.68067
21 4JCA CIT 0.001722 0.47462 1.79641
22 4K6B GLU 0.01102 0.41485 1.86335
23 3GM5 CIT 0.005241 0.42001 1.88679
24 2HGS GSH 0.0006482 0.423 2
25 3BRE C2E 0.006042 0.4173 2
26 2WQP WQP 0.002683 0.41306 2
27 1GSA GSH 0.0007149 0.4041 2
28 2BZ1 TAU 0.00009942 0.55275 2.04082
29 2OI2 DP6 0.001397 0.41583 2.05479
30 2FWP ICR 0.007721 0.40601 2.18579
31 2Q37 3AL 0.0074 0.40782 2.20994
32 1I1N SAH 0.01168 0.40973 2.21239
33 2ZWS PLM 0.0007808 0.50425 2.4
34 2QCX PF1 0.001078 0.44318 2.4
35 3GJB AKG 0.0005687 0.44177 2.4
36 3I51 45C 0.000377 0.4369 2.4
37 1E7S NAP 0.001032 0.43583 2.4
38 1ZUW DGL 0.0008892 0.43412 2.4
39 1R6W 164 0.000232 0.43366 2.4
40 1OMZ UD2 0.003295 0.42872 2.4
41 1ZGA HMK 0.0006779 0.42747 2.4
42 1QZZ SAM 0.0006932 0.42196 2.4
43 1R0X ATP 0.002809 0.42055 2.4
44 3QTP 2PG 0.007503 0.41843 2.4
45 2F2U M77 0.001702 0.41766 2.4
46 4HA6 PXM 0.004687 0.41622 2.4
47 1WDA BAG 0.002598 0.41575 2.4
48 2YVF NAD 0.01397 0.41563 2.4
49 3ZPG 5GP 0.01772 0.41482 2.4
50 2YVF FAD 0.01445 0.41437 2.4
51 3A1I UNU 0.002355 0.41227 2.4
52 1WTC ACP 0.01082 0.41201 2.4
53 3LM9 ADP 0.001806 0.41171 2.4
54 4C6F DOR 0.003288 0.40674 2.4
55 4C6F NCD 0.003288 0.40674 2.4
56 2WE0 UMP 0.01172 0.40465 2.4
57 1EYE PMM 0.002815 0.40457 2.4
58 1OGZ EQU 0.003118 0.40292 2.4
59 2EFJ SAH 0.002218 0.40167 2.4
60 1KO0 LYS 0.02517 0.40091 2.4
61 3BHO B4P 0.001885 0.4726 2.40385
62 1A27 EST 0.001771 0.40287 2.42215
63 4FGC PQ0 0.001582 0.43615 2.42424
64 3I8T LBT 0.008109 0.40099 2.43902
65 1PR9 NAP 0.00921 0.40079 2.45902
66 4A6F SEP 0.00998 0.43516 2.5
67 3EJ0 11X 0.0002326 0.46754 2.55102
68 1QR0 COA 0.004307 0.40225 2.63158
69 2CW6 3HG 0.00224 0.45928 2.68456
70 2FR6 CTN 0.00009787 0.43237 2.73973
71 2Y7P SAL 0.002117 0.42482 2.75229
72 4LWM MHO 0.02165 0.40545 2.76498
73 3IHB TRS 0.000215 0.56856 2.8
74 3IHB GLU 0.0008278 0.46283 2.8
75 4WBD CIT 0.002233 0.45088 2.8
76 4WBD ADP 0.002024 0.44518 2.8
77 3TXO 07U 0.000267 0.43684 2.8
78 1M1B SPV 0.002263 0.42958 2.8
79 1CTU ZEB 0.0002144 0.42711 2.8
80 2FOI JPA 0.00108 0.42522 2.8
81 1Q3Q ANP 0.007214 0.42483 2.8
82 3CQ5 PMP 0.001535 0.42476 2.8
83 2ZJF BSU 0.00184 0.41637 2.8
84 1IYE PGU 0.003884 0.41264 2.8
85 4B2D FBP 0.004612 0.41126 2.8
86 3VC3 C6P 0.0102 0.40969 2.8
87 2J8Z NAP 0.004583 0.40726 2.8
88 1P9B HDA 0.008219 0.40589 2.8
89 3JDW ORN 0.00147 0.4057 2.8
90 1FBL HTA 0.004353 0.40207 2.8
91 4F2Q QUS 0.0026 0.40133 2.8
92 4LSJ LSJ 0.003352 0.40122 2.8
93 1UZN NAP 0.0008598 0.41382 2.83401
94 3CBG 4FE 0.002849 0.46333 3.01724
95 3CBG FER 0.002836 0.45421 3.01724
96 1UJ5 5RP 0.002876 0.40422 3.0837
97 1VQ2 DDN 0.0001782 0.43087 3.10881
98 4NAE 1GP 0.01815 0.40761 3.11111
99 1Y7P RIP 0.003652 0.42689 3.13901
100 1A8R GTP 0.0005576 0.40052 3.16742
101 1RYI GOA 0.00335 0.47693 3.2
102 3B8I OXL 0.00187 0.47277 3.2
103 4CCO OGA 0.0001976 0.46683 3.2
104 4M51 BEZ 0.001119 0.46507 3.2
105 1O9U ADZ 0.002428 0.45755 3.2
106 5T0A A3P 0.0002112 0.4492 3.2
107 1T10 F6P 0.001138 0.44219 3.2
108 4CCN OGA 0.001656 0.44194 3.2
109 1T3D CYS 0.002516 0.44087 3.2
110 3WCS MAN NAG 0.000888 0.44021 3.2
111 3QO8 SSA 0.0001935 0.4364 3.2
112 3NFZ 3NF 0.0005085 0.43209 3.2
113 3U1T MLI 0.003936 0.43204 3.2
114 3L6R MLI 0.006154 0.4232 3.2
115 2Q9U FMN 0.0001877 0.42254 3.2
116 1GJW GLC 0.007095 0.42038 3.2
117 1HQL GLA MBG 0.007566 0.41911 3.2
118 3FPZ AHZ 0.01827 0.41866 3.2
119 3WCS MAN NAG GAL 0.001717 0.41752 3.2
120 4QVH FLC 0.03513 0.41609 3.2
121 1SQ5 PAU 0.003535 0.41573 3.2
122 3I7S PYR 0.01286 0.41483 3.2
123 4BT5 23B 0.002858 0.41411 3.2
124 3DGB MUC 0.001617 0.41349 3.2
125 1SQ5 ADP 0.001727 0.41243 3.2
126 3OAI MAL 0.01947 0.40625 3.2
127 1VR0 3SL 0.004992 0.40454 3.23887
128 3PNA CMP 0.01767 0.40016 3.24675
129 2QDT I38 0.001293 0.40765 3.34572
130 1JN2 SFP 0.02365 0.43503 3.37553
131 3W8S GSH 0.003065 0.42401 3.39806
132 1UI0 URA 0.02099 0.40109 3.41463
133 2BES RES 0.004703 0.41911 3.48837
134 3UIE ANP 0.002252 0.41302 3.5
135 3A2Y TS5 0.001016 0.40504 3.5533
136 1UPF URF 0.00009495 0.44156 3.57143
137 3UDG TMP 0.001127 0.47399 3.6
138 2Q8H TF4 0.001143 0.47369 3.6
139 3O03 GCO 0.002783 0.45462 3.6
140 2I4O ATP 0.0003242 0.44517 3.6
141 1E4E PHY 0.0001882 0.43682 3.6
142 4WVH ASP HIS ASP ALA HIS ALA 0.0008159 0.43559 3.6
143 1NML CIT 0.001235 0.43437 3.6
144 4C1K PEP 0.001395 0.43221 3.6
145 3ANK NG6 GCD 0.0007678 0.43087 3.6
146 2WPF WPF 0.03917 0.42539 3.6
147 3P3N AKG 0.004287 0.42384 3.6
148 1H2K OGA 0.004682 0.42216 3.6
149 1XHL NDP 0.002543 0.42093 3.6
150 3BK2 U5P 0.001121 0.41938 3.6
151 4B7E OGA 0.005495 0.41329 3.6
152 2WA4 069 0.001674 0.41293 3.6
153 2XUM OGA 0.008119 0.41167 3.6
154 4R33 TRP 0.004903 0.41129 3.6
155 4R33 SAH 0.004903 0.41129 3.6
156 2Y0I AKG 0.00617 0.41116 3.6
157 3UH0 TSB 0.002437 0.40977 3.6
158 4M2K PLP 0.003715 0.40961 3.6
159 3K5X P8D 0.00284 0.40917 3.6
160 3W2W ATP 0.002465 0.4067 3.6
161 2NVK NAP 0.006146 0.40592 3.6
162 1Z45 GAL 0.006808 0.4041 3.6
163 4LIT AKG 0.00975 0.40275 3.6
164 2R5T ANP 0.000398 0.40242 3.6
165 3VOZ 04A 0.03236 0.40097 3.6
166 1Q3P GLU ALA GLN THR ARG LEU 0.005091 0.4042 3.66972
167 2VAR AMP 0.003579 0.40533 3.83387
168 2VAR KDG 0.00274 0.405 3.83387
169 2VAR KDF 0.003428 0.40139 3.83387
170 4DN8 BMA 0.001528 0.44346 3.84615
171 2JGS BTN 0.009487 0.40068 3.84615
172 3BL6 FMC 0.000497 0.40927 3.91304
173 3UBW 6SP 0.001861 0.48887 4
174 2EB5 OXL 0.000264 0.47683 4
175 4HZO COA 0.0002715 0.46119 4
176 2C5S AMP 0.0002241 0.45772 4
177 4OYA 1VE 0.009028 0.43954 4
178 2R00 OEG 0.002802 0.43875 4
179 2ZJ3 G6P 0.0002923 0.43721 4
180 4CIB 7UZ 0.001657 0.43529 4
181 1GAD NAD 0.001048 0.42822 4
182 2E1A MSE 0.001609 0.42395 4
183 2YIV YIV 0.00839 0.42365 4
184 3A2Q ACA ACA 0.0003215 0.42341 4
185 2PTZ PAH 0.0006378 0.41835 4
186 2YIV NBN 0.008713 0.41631 4
187 1UF5 CDT 0.002121 0.41401 4
188 5EQU AKG 0.01494 0.41173 4
189 3TFC PEP 0.004551 0.41125 4
190 4OB6 S2T 0.001103 0.41005 4
191 3CL7 HYN 0.003327 0.40648 4
192 1AUX AGS 0.0009032 0.40647 4
193 4BAS GNP 0.002443 0.40617 4.0201
194 4KGM ATP 0.003261 0.4022 4.08163
195 2PYU IMP 0.007905 0.40661 4.10959
196 1R5A GTS 0.001323 0.42731 4.12844
197 4K7O EKZ 0.003905 0.43219 4.16667
198 1AX2 NDG GAL 0.001915 0.4266 4.1841
199 2YD6 FLC 0.000002589 0.62424 4.24528
200 1V7R CIT 0.03063 0.40981 4.30108
201 3LN9 FLC 0.0002687 0.50969 4.31655
202 1NME 159 0.001422 0.46902 4.34783
203 3QP6 HL6 0.0001815 0.44285 4.4
204 1RQH PYR 0.006095 0.42338 4.4
205 1UOU CMU 0.0007758 0.4202 4.4
206 1B5E DCM 0.002407 0.41705 4.4
207 5D63 FUC GLA GLA 0.007579 0.41298 4.4
208 1B74 DGN 0.01493 0.41175 4.4
209 2C31 ADP 0.02465 0.40992 4.4
210 2C31 TZD 0.02537 0.40992 4.4
211 2ZO9 MLI 0.002575 0.40836 4.4
212 2XNJ FAD 0.01008 0.40213 4.4
213 3I6B KDO 0.0002136 0.46545 4.44444
214 3O7B SAH 0.0007246 0.40335 4.5082
215 1O5O U5P 0.000004505 0.5593 4.52489
216 3HVJ 705 0.002736 0.45074 4.52489
217 3QH2 3NM 0.007899 0.42214 4.52489
218 2P69 PLP 0.003432 0.42194 4.57516
219 1DL7 NCH 0.01189 0.44006 4.58716
220 1Q6O LG6 0.000399 0.42545 4.62963
221 2UYN 2KT 0.01949 0.40309 4.65116
222 4AF5 CIT 0.002303 0.43566 4.73684
223 1QH9 LAC 0.002226 0.43631 4.74138
224 2OWZ CIT 0.0001899 0.48309 4.8
225 4B9E FAH 0.001095 0.45731 4.8
226 3LTW HLZ 0.001247 0.44733 4.8
227 2Y7G AAE 0.0001263 0.44286 4.8
228 4C2G ALA ALA ALA ALA 0.001381 0.42658 4.8
229 4O8A 2OP 0.01159 0.42397 4.8
230 3W54 RNB 0.0007398 0.42094 4.8
231 1FP2 HMO 0.0005763 0.41988 4.8
232 2Q8M AMP 0.001121 0.41938 4.8
233 3ZF8 GDP 0.001981 0.41515 4.8
234 1TLG GAL 0.006623 0.41469 4.8
235 1X54 4AD 0.002228 0.41288 4.8
236 1P72 THM 0.004394 0.41187 4.8
237 1ML4 PAL 0.0002817 0.40926 4.8
238 1D6S PLP MET 0.009082 0.4074 4.8
239 1D6S MET PLP 0.009976 0.40713 4.8
240 1EBG PAH 0.008449 0.40354 4.8
241 2PUL ACP 0.00193 0.40158 4.8
242 1NF8 BOG 0.01181 0.41027 4.83092
243 3QDW NDG 0.000222 0.4888 4.8951
244 3QDV NDG 0.0002261 0.48844 4.8951
245 3QDY CBS 0.0002534 0.48618 4.8951
246 3QDT A2G GAL 0.001647 0.45714 4.8951
247 3QDV A2G 0.002648 0.45569 4.8951
248 3QDW A2G 0.01234 0.42262 4.8951
249 3QDX CBS 0.00004675 0.40102 4.8951
250 4AIG FLX 0.0002321 0.45072 4.97512
251 3K7S R52 0.01421 0.40064 5.02793
252 3S9K CIT 0.0001119 0.54733 5.08475
253 1C1L GAL BGC 0.002228 0.44327 5.10949
254 2D37 NAD 0.006 0.40149 5.11364
255 2Y6P CTP 0.004661 0.40094 5.12821
256 3RF4 FUN 0.0005534 0.44859 5.17241
257 3KYF 5GP 5GP 0.0007713 0.4308 5.19481
258 2XDQ MGX 0.001014 0.47625 5.2
259 2ZE3 AKG 0.0006173 0.4534 5.2
260 1VBH PEP 0.0007353 0.4502 5.2
261 2ZJ5 ADP 0.001006 0.44445 5.2
262 1R37 NAD 0.0007808 0.44313 5.2
263 2J0W ASP 0.002672 0.43969 5.2
264 1Z42 HBA 0.01109 0.43804 5.2
265 1RYD GLC 0.002234 0.43624 5.2
266 3QV9 QV7 0.002769 0.42588 5.2
267 1O68 KIV 0.00207 0.42522 5.2
268 3CEV ARG 0.002012 0.42012 5.2
269 2XKO AKG 0.01718 0.40726 5.2
270 5YAS FAC 0.0007221 0.40266 5.2
271 3K3K A8S 0.0001267 0.42188 5.21327
272 1H8G CHT 0.002693 0.4751 5.26316
273 1OGD RIP 0.003932 0.41384 5.34351
274 1L1Q 9DA 0.00000166 0.5256 5.37634
275 3GD8 BOG 0.005704 0.4316 5.38117
276 2XI7 XI7 0.003457 0.46922 5.43478
277 3E81 SLB 0.00003245 0.50739 5.4878
278 4M5P MLA 0.003099 0.46144 5.6
279 4N02 FNR 0.00125 0.45286 5.6
280 3ZUY TCH 0.0002486 0.44958 5.6
281 4M5P 23W 0.003017 0.4447 5.6
282 4KCT PYR 0.001297 0.42765 5.6
283 3P7I P7I 0.003564 0.41559 5.6
284 4KCT FDP 0.005948 0.41436 5.6
285 4IP7 FBP 0.004765 0.41063 5.6
286 4I71 AGV 0.0005324 0.40689 5.6
287 1PFK ADP 0.001425 0.40617 5.6
288 2QF7 COA 0.001987 0.40552 5.6
289 4M5P FMN 0.0003075 0.40207 5.6
290 2DTJ THR 0.0006672 0.4332 5.61798
291 3R51 MMA 0.0006584 0.48551 5.625
292 1BTN I3P 0.002292 0.47736 5.66038
293 4N7C AEF 0.003761 0.43293 5.68182
294 1TDF FAD 0.003306 0.43144 5.6962
295 1TDF NAP 0.02353 0.41078 5.6962
296 1I1Q TRP 0.001695 0.42306 5.72917
297 1JH7 UVC 0.0003255 0.46513 5.82011
298 3DX5 DHB 0.002503 0.41126 5.94406
299 1PEA ACM 0.00008122 0.51894 6
300 1QO0 BMD 0.0003151 0.47347 6
301 3NNF AKG 0.0004736 0.46573 6
302 2FGQ MLT 0.0004921 0.465 6
303 2BO4 FLC 0.0007682 0.4643 6
304 1WHT BZS 0.0005533 0.46277 6
305 3RKR NAP 0.0005666 0.43591 6
306 3DAG FEG 0.002 0.41623 6
307 3K3G MMU 0.006551 0.40737 6
308 3DG6 MUC 0.002042 0.4051 6
309 1TUV VK3 0.006817 0.43539 6.14035
310 2PS1 ORO 0.0000006973 0.61545 6.19469
311 2PS1 PRP 0.000004739 0.50844 6.19469
312 2Q97 ATP 0.001392 0.41684 6.20155
313 1YOA FMN 0.04632 0.40765 6.28931
314 1QY1 PRZ 0.000285 0.40574 6.32184
315 2OFE NAG 0.0002599 0.47713 6.33803
316 2OFD NGA 0.000375 0.47017 6.33803
317 1WRA PC 0.00104 0.45831 6.4
318 1SOW OXL 0.002371 0.45806 6.4
319 2DVZ GLU 0.0001678 0.45609 6.4
320 1KBJ FMN 0.0001693 0.45579 6.4
321 2H6B 3C4 0.00807 0.42138 6.4
322 3I0O ADP 0.001473 0.42006 6.4
323 1RZM E4P 0.007973 0.41807 6.4
324 1RZM PEP 0.004276 0.41236 6.4
325 3NKS ACJ 0.001687 0.40361 6.4
326 4HDK 13X 0.02111 0.40057 6.4
327 4KCF FMN 0.0001333 0.44205 6.60793
328 3WUD GLC GAL 0.004892 0.43476 6.61765
329 1Y75 NAG 0.001095 0.43055 6.77966
330 3VPD BUA 0.0002646 0.52876 6.8
331 3SQG COM 0.002191 0.46923 6.8
332 1CKM GTP 0.0003774 0.4488 6.8
333 1CKN GTP 0.0005739 0.44162 6.8
334 3VPD CIT 0.007599 0.4413 6.8
335 2BLE 5GP 0.005533 0.43101 6.8
336 3VPD ANP 0.0001461 0.41238 6.8
337 1V6A TRE 0.00592 0.41192 6.8
338 2AEB ABH 0.00559 0.4097 6.8
339 4Q0A 4OA 0.0007061 0.4045 6.8
340 2RCN GDP 0.004283 0.40234 6.8
341 3WKX FUB 0.01366 0.40174 6.8
342 1GVF PGH 0.02003 0.40173 6.8
343 3B5J 12D 0.01573 0.40705 6.99588
344 3SCH TB6 0.00101 0.45133 7.07071
345 1ZZ7 S0H 0.005832 0.40685 7.07071
346 1Y13 BIO 0.001939 0.4155 7.18232
347 1P4A PCP 0.00006825 0.48212 7.2
348 3CL5 SIO 0.00185 0.44695 7.2
349 1Y42 TYR 0.001426 0.43183 7.2
350 3T1A 5MA 0.0003073 0.41725 7.2
351 4AMV F6R 0.0007005 0.41693 7.2
352 1H9G COA MYR 0.002311 0.41547 7.2
353 2O2C G6Q 0.00101 0.41139 7.2
354 2HEK GDP 0.003171 0.40733 7.2
355 1YOE RIB 0.00469 0.40561 7.2
356 1XX4 BAM 0.00788 0.40404 7.2
357 1NU4 MLA 0.002446 0.47737 7.2165
358 1F5F DHT 0.0001785 0.43048 7.31707
359 1MOQ GLP 0.000221 0.42096 7.33696
360 1XE7 GUN 0.006894 0.43515 7.38916
361 4EXO PYR 0.004582 0.4361 7.53425
362 1C3V PDC 0.0004166 0.46061 7.6
363 1YHM AHD 0.0005954 0.45406 7.6
364 4BG1 IVL 0.0002146 0.41081 7.6
365 4BG1 OGA 0.0002146 0.41081 7.6
366 4Q3F TLA 0.006058 0.41725 7.69231
367 3RGQ 5P5 0.02299 0.40151 7.69231
368 2X2T GAL NGA 0.003295 0.46366 7.84314
369 3U5S FAD 0.002877 0.40361 7.93651
370 1HFA PIO 0.02781 0.42602 8
371 2EJU SAH 0.0002416 0.41874 8
372 3O2K QRP 0.001974 0.4152 8
373 4LO6 SIA GAL 0.0116 0.41371 8
374 2HFK E4H 0.005083 0.40929 8
375 4GYW UDP 0.005264 0.40889 8
376 3O2K DST 0.006384 0.40524 8
377 3RK0 AMP 0.0004549 0.43388 8.01688
378 4R3L COA 0.0003076 0.42595 8.09249
379 1II5 GLU 0.002039 0.4315 8.15451
380 2FXV 5GP 0.000002272 0.494 8.24742
381 1G8S MET 0.02314 0.40174 8.26087
382 4G1V FAD 0.03833 0.41053 8.4
383 4E28 9MZ 0.01138 0.40523 8.4
384 3VCA PRO 0.007639 0.4046 8.4
385 2W8Q SIN 0.002367 0.44209 8.41889
386 3SJ0 DXC 0.006716 0.42147 8.4507
387 2YDW WSH 0.002478 0.41143 8.49673
388 2WCV FUC 0.005551 0.40272 8.57143
389 1KC7 PPR 0.001281 0.45421 8.8
390 2Q1A 2KT 0.005869 0.41786 8.8
391 1A8S PPI 0.001517 0.41701 8.8
392 4LHM AZZ 0.006864 0.4092 8.8
393 1UO5 PIH 0.005847 0.45683 8.82353
394 1UO4 PIH 0.007647 0.44116 8.82353
395 3C3Y SAH 0.003169 0.40141 8.86076
396 4F8L GAL 0.007526 0.45087 8.96552
397 4EPL JAI 0.0004533 0.42352 9.2
398 1GPJ CIT 0.0078 0.41243 9.2
399 1YAG ATP 0.004452 0.40022 9.2
400 2QLX RM4 0.002415 0.44169 9.25926
401 3VPQ GSH 0.00397 0.41926 9.31373
402 1JGS SAL 0.003223 0.47087 9.42029
403 4W6Z ETF 0.0009537 0.47757 9.6
404 1H16 PYR 0.002019 0.45296 9.6
405 3ZGE ASP 0.002482 0.44871 9.6
406 1H16 DTL 0.0284 0.4046 9.6
407 2Q3M MLA 0.03111 0.40262 9.6
408 1XTT U5P 0.000008364 0.53268 9.72222
409 4B16 NAG 0.0004217 0.50616 10
410 4COQ SAN 0.002648 0.43301 10.1215
411 3UEC ALA ARG TPO LYS 0.0007043 0.46601 10.274
412 3MBI HSX 0.0000004068 0.62688 10.4
413 4RJK PYR 0.004766 0.46165 10.4
414 1Q11 TYE 0.0007934 0.44221 10.7527
415 1A5V Y3 0.0007892 0.4489 10.7595
416 4IHQ ADP 0.001949 0.42067 10.8
417 1I0Z OXM 0.00137 0.46981 11.2
418 2DWU DGL 0.0003531 0.44994 11.2
419 1Y2W NAG 0.0002836 0.47547 11.2676
420 1JAC AMG 0.02796 0.41188 11.2782
421 1Y1A GSH 0.0004897 0.52144 11.4754
422 2JFV FLC 0.002852 0.43159 11.6
423 4G28 0W8 0.0009979 0.43214 11.7647
424 4JLS 3ZE 0.0000002623 0.65269 11.8421
425 1PTR PRB 0.007852 0.41837 12
426 3MCT 3MC 0.001104 0.43635 12.1212
427 4LFL TG6 0.007782 0.41315 12.3457
428 2CE7 ADP 0.001099 0.41476 12.4
429 1SC3 MLI 0.0004045 0.48598 12.5
430 2QGI UDP 0.000733 0.45025 12.5
431 1MZV AMP 0.000000427 0.61603 12.766
432 1TRD PGH 0.000869 0.42347 12.8
433 4BCS BTN 0.0005911 0.4195 12.8
434 1Y9Q MED 0.002099 0.43743 13.0208
435 1QB7 ADE 0.000002368 0.58062 13.1356
436 1ULE GLA GAL NAG 0.00259 0.44784 13.3333
437 3KMT SAH 0.0001546 0.44536 13.4454
438 3MAG 3MA 0.002643 0.46501 13.6
439 1N9L FMN 0.0001273 0.42856 13.7615
440 1UUY PPI 0.01774 0.41479 13.7725
441 1LH0 ORO 0.0002965 0.46407 14.0845
442 1E2S CSN 0.00043 0.4294 14.4
443 2V7T SAH 0.0135 0.42825 14.7157
444 2NZU BG6 0.001307 0.43336 14.7727
445 1T0S BML 0.003184 0.44359 15.1163
446 2HVW DDN 0.00005863 0.46047 15.2174
447 2HVW DCP 0.002819 0.40006 15.2174
448 1ECC PCP 0.000004451 0.48012 15.6
449 3EYK EYK 0.006772 0.41513 15.6
450 1UW1 ADP 0.002296 0.42931 16.25
451 1V2G OCA 0.001564 0.41402 16.3158
452 1ZN7 ADE 0.0000001445 0.63843 16.6667
453 1ZN7 PRP 0.000001253 0.54149 16.6667
454 1ZN7 HSX 0.01639 0.42398 16.6667
455 3LA3 2FT 0.01128 0.41742 16.8724
456 3BY8 MLT 0.0008775 0.46168 16.9014
457 2V5E SCR 0.01413 0.42733 17.5
458 9LDB OXM 0.001339 0.48027 17.6
459 9LDT OXM 0.01031 0.43444 17.6
460 1H2B OCA 0.003826 0.41994 17.6
461 2D5X L35 0.004659 0.41632 17.8082
462 2F01 BTN 0.005409 0.43478 18.1102
463 2F01 BTQ 0.01495 0.41627 18.1102
464 2BGM NAJ 0.005649 0.42921 18.4
465 2VQ5 HBA 0.00174 0.44816 19.403
466 2VQ5 LDP 0.008643 0.43029 19.403
467 3DCM SAM 0.0001251 0.42169 20.8333
468 1SS4 GSH 0.001332 0.49693 23.5294
469 2PR5 FMN 0.0002034 0.42177 25
470 3KJQ B94 0.002737 0.40502 25
471 4P83 U5P 0.00000002279 0.67661 31.8681
472 2XRH NIO 0.001077 0.45763 33
473 3KPE TM3 0.01331 0.40222 35.2941
474 4RHY 3QG 0.002503 0.44098 43.7811
Pocket No.: 2; Query (leader) PDB : 3OZG; Ligand: SSI; 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: 3ozg.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3OZG; Ligand: SSI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3ozg.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3OZG; Ligand: SSI; Similar sites found: 104
This union binding pocket(no: 4) in the query (biounit: 3ozg.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3EW2 BTN 0.001224 0.42864 None
2 1UAY ADN 0.0009354 0.41728 1.23967
3 2ZSC BTN 0.0002844 0.43585 1.41844
4 1KYV RBF 0.0007138 0.40999 1.88679
5 3GTD MLI 0.001973 0.4321 2
6 4JLV ADP 0.02771 0.41589 2
7 2HGS ADP 0.0001693 0.40457 2
8 1YBH P22 0.0004909 0.43829 2.0339
9 3L24 GOA 0.002499 0.45692 2.4
10 2WE5 ADP 0.001069 0.41521 2.4
11 1PX8 XYP 0.006997 0.40885 2.4
12 3SIX GDP 0.002888 0.40415 2.4
13 1ZED PNP 0.0193 0.40051 2.47934
14 2FR6 URI 0.00003764 0.44597 2.73973
15 1F1V DHY 0.001764 0.42238 2.8
16 1WNG SAH 0.0003394 0.40676 2.8
17 1KYQ NAD 0.0005961 0.4048 2.8
18 2JC9 ADN 0.008024 0.40118 2.8
19 2AZ3 CDP 0.006754 0.40424 3.04878
20 4K30 NLG 0.003262 0.41716 3.125
21 4N7U 2JA 0.002629 0.45584 3.15789
22 2GWD GLU 0.0007238 0.43764 3.2
23 2VDJ HSE 0.004749 0.43537 3.2
24 3SBZ MLI 0.01677 0.41601 3.2
25 1Z6K OAA 0.00292 0.4063 3.2
26 2GDZ NAD 0.005766 0.40485 3.2
27 4NM5 ADP 0.0002264 0.40021 3.2
28 4EAX S12 0.01659 0.40802 3.33333
29 5FIT AP2 0.002513 0.40639 3.40136
30 1TH8 ADP 0.002009 0.41492 3.44828
31 2W58 ADP 0.0228 0.40348 3.46535
32 4NAO AKG 0.0009791 0.45951 3.6
33 2IZ1 ATR 0.0009948 0.45162 3.6
34 4USS GSH 0.0007917 0.44225 3.6
35 1A5Z OXM 0.009236 0.42166 3.6
36 1DXY COI 0.02343 0.40877 3.6
37 1P1M MET 0.0001654 0.4059 3.6
38 3H22 B53 0.003559 0.40542 3.6
39 1RY2 AMP 0.005334 0.40049 3.6
40 4ME6 ADP 0.005627 0.41286 3.62694
41 1H8P PC 0.003796 0.44796 3.66972
42 4KFU ACP 0.0164 0.4206 3.77358
43 4DQ2 BTX 0.00166 0.42382 4
44 3MTW M3R 0.0009251 0.41271 4
45 1TV5 ORO 0.0008995 0.40988 4
46 2HW1 ANP 0.0002097 0.40834 4
47 1AUA BOG 0.005554 0.40772 4
48 1W3R PYR 0.01276 0.41499 4.16667
49 1MQ0 BRD 0.0007068 0.42165 4.28571
50 2O66 FLC 0.0005255 0.45635 4.44444
51 1CBF SAH 0.001159 0.4093 4.5614
52 1EB9 HBA 0.0002879 0.44123 4.58015
53 2WGC SIA GAL BGC 0.01593 0.43313 4.67836
54 1WGC SIA GAL BGC 0.03141 0.40923 4.67836
55 1U3I GSH 0.007862 0.40671 4.73934
56 3CF6 SP1 0.00128 0.40779 4.79042
57 1NX4 AKG 0.0001914 0.47487 4.8
58 3V1U HXC 0.003318 0.40658 4.8
59 1NF8 ISC 0.001085 0.4199 4.83092
60 3QDY A2G GAL 0.02135 0.40434 4.8951
61 1Z44 NPO 0.0003165 0.5255 5.2
62 3PMA SCR 0.004727 0.41058 5.2
63 3C1O NAP 0.002879 0.40879 5.6
64 2HJ3 FAD 0.0002405 0.40766 5.6
65 4JP3 CIT 0.001894 0.41094 5.85774
66 2C4I BTN 0.0008652 0.41373 6
67 2QV7 ADP 0.001074 0.41045 6
68 3PNL ADP 0.001782 0.41295 6.16114
69 3UCJ AZM 0.005428 0.4031 6.1674
70 1Z0N BCD 0.01864 0.40814 6.25
71 4JWX 1N4 0.005286 0.40859 6.4
72 2OHV NHL 0.004185 0.40757 6.4
73 3FED BIX 0.001677 0.40594 6.4
74 3I0O SMI 0.00843 0.40542 6.4
75 3AYS CT3 0.004444 0.40173 6.4
76 1KTC NGA 0.002837 0.41963 6.8
77 4ARF IP8 GLY PRO ALA 0.0009079 0.413 6.8
78 4TMK T5A 0.007148 0.44781 7.04225
79 2IUW AKG 0.005989 0.40141 7.14286
80 2OKK ABU 0.006933 0.42758 7.2
81 2Q09 DI6 0.005883 0.40172 7.6
82 1EYQ NAR 0.001304 0.42756 8.10811
83 4USQ FAD 0.0009573 0.43973 8.4
84 4DYO SD4 0.004258 0.40727 8.4
85 1T0I FMN 0.000356 0.41311 8.90052
86 3I8P 840 0.0006169 0.41885 9.2
87 1V5F TPP 0.01142 0.44749 9.6
88 1V5F FAD 0.01142 0.44749 9.6
89 2VMD MBG 0.007425 0.43356 10
90 4UAL 3FV 0.0004438 0.41759 10.4
91 1K6M AGS 0.0002473 0.40215 10.4
92 1U5R ATP 0.0008151 0.41463 11.2
93 4C2W ANP 0.01122 0.41725 11.5385
94 3MD0 GDP 0.001609 0.42396 11.6
95 4G4S LDZ 0.00025 0.42517 12
96 1OIK AKG 0.005507 0.41907 12.8
97 1UJP CIT 0.005603 0.40096 12.9151
98 3HZL 6PC 0.006256 0.43724 13.6
99 1GXS DKA 0.03649 0.41492 13.9241
100 3PXP MYR 0.0005662 0.41381 15.6
101 2FYU FDN 0.0001119 0.42968 16.6667
102 6FIV 3TL 0.001483 0.4101 19.469
103 2B7N NTM 0.007486 0.40761 19.6
104 4YEF 4CQ 0.01483 0.40501 23.5955
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