Receptor
PDB id Resolution Class Description Source Keywords
3T1A 2.4 Å EC: 2.7.7.49 CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (K103N MUTA COMPLEX WITH INHIBITOR M05 HIV-1 M:B_HXB2R HIV-1 REVERSE TRANSCRIPTASE NON-NUCLEOSIDE INHIBITION NUCLEOTIDYLTRANFERASE HIV-1 TRANSFERASE TRANSFERASE-TRANINHIBITOR COMPLEX
Ref.: DESIGN AND SYNTHESIS OF CONFORMATIONALLY CONSTRAINE INHIBITORS OF NON-NUCLEOSIDE REVERSE TRANSCRIPTASE. J.MED.CHEM. V. 54 7920 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5MA A:561;
Valid;
none;
Ki = 4.3 nM
474.73 C20 H14 Cl3 N7 O c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3T1A 2.4 Å EC: 2.7.7.49 CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (K103N MUTA COMPLEX WITH INHIBITOR M05 HIV-1 M:B_HXB2R HIV-1 REVERSE TRANSCRIPTASE NON-NUCLEOSIDE INHIBITION NUCLEOTIDYLTRANFERASE HIV-1 TRANSFERASE TRANSFERASE-TRANINHIBITOR COMPLEX
Ref.: DESIGN AND SYNTHESIS OF CONFORMATIONALLY CONSTRAINE INHIBITORS OF NON-NUCLEOSIDE REVERSE TRANSCRIPTASE. J.MED.CHEM. V. 54 7920 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3T1A Ki = 4.3 nM 5MA C20 H14 Cl3 N7 O c1cc2c([nH....
2 3LAK - KR1 C22 H20 F N5 O3 Cc1cc(cc(c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 52 families.
1 3T1A Ki = 4.3 nM 5MA C20 H14 Cl3 N7 O c1cc2c([nH....
2 3LAK - KR1 C22 H20 F N5 O3 Cc1cc(cc(c....
3 3ISN Ki = 8 nM EDM C9 H13 N3 O2 S CN(C)c1cc(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 52 families.
1 3T1A Ki = 4.3 nM 5MA C20 H14 Cl3 N7 O c1cc2c([nH....
2 3LAK - KR1 C22 H20 F N5 O3 Cc1cc(cc(c....
3 3ISN Ki = 8 nM EDM C9 H13 N3 O2 S CN(C)c1cc(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5MA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 5MA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3T1A; Ligand: 5MA; Similar sites found: 124
This union binding pocket(no: 1) in the query (biounit: 3t1a.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BMN AX3 0.009889 0.40119 1.7762
2 4A4X JUP 0.008132 0.40733 1.79211
3 2YBP 2HG 0.01164 0.4177 1.83727
4 2OS2 OGA 0.02735 0.40186 1.83727
5 2Q8E OGA 0.01413 0.41288 1.98864
6 4MOB ADP 0.01977 0.40555 2.10843
7 1K0E TRP 0.01213 0.40003 2.20751
8 2H8H H8H 0.00645 0.40516 2.24299
9 4DC2 ADE 0.0108 0.42304 2.27273
10 1O9U ADZ 0.003843 0.4414 2.28571
11 3F7Z 34O 0.004238 0.40559 2.28571
12 5VC5 96M 0.004988 0.41827 2.42215
13 1OUK 084 0.02982 0.42596 2.45902
14 5UIU 8CG 0.01397 0.40089 2.47678
15 5JFS 6K0 0.02253 0.40122 2.48668
16 3GJB AKG 0.02287 0.40253 2.50784
17 4IDT T28 0.003138 0.42289 2.52809
18 1SW1 PBE 0.01628 0.4073 2.54545
19 1JPA ANP 0.003359 0.41819 2.5641
20 4DZ1 DAL 0.01716 0.40971 2.7027
21 3ACL 3F1 0.007736 0.40527 2.7027
22 4XV1 904 0.01469 0.40355 2.73973
23 5AWM ANP 0.01147 0.40899 2.79188
24 2OG7 SIN 0.02347 0.40144 2.80112
25 1SDW IYT 0.01254 0.40312 2.86624
26 2Z5Y HRM 0.015 0.40748 2.92398
27 5DG2 GAL GLC 0.0009768 0.45191 2.96296
28 2F2U M77 0.01607 0.40189 2.98507
29 3PLS ANP 0.007762 0.4052 3.02013
30 4KBA 1QM 0.00806 0.42089 3.02115
31 4IGH FMN 0.04217 0.40485 3.22581
32 4IGH 1EA 0.04217 0.40485 3.22581
33 4IGH ORO 0.04217 0.40485 3.22581
34 1A8U BEZ 0.006033 0.43047 3.2491
35 4USF 6UI 0.00898 0.40237 3.28947
36 5BVE 4VG 0.01854 0.41948 3.3241
37 2FR6 URI 0.00952 0.40878 3.42466
38 1QY1 PRZ 0.004048 0.41416 3.44828
39 5IXG OTP 0.02016 0.40884 3.5503
40 5N87 N66 0.01569 0.40448 3.5524
41 2GK6 ADP 0.0254 0.40018 3.5524
42 1YFS ALA 0.0131 0.41972 3.65591
43 3TXO 07U 0.0102 0.40351 3.68272
44 1G51 AMP 0.01369 0.41195 3.73002
45 2VN9 GVD 0.01369 0.40945 3.73002
46 4WNP 3RJ 0.01412 0.40068 3.83275
47 2V7O DRN 0.01687 0.40494 3.90764
48 4AZT LY2 0.01466 0.40382 4.08526
49 3HCH RSM 0.01521 0.41391 4.10959
50 5HVJ ANP 0.01324 0.41931 4.12698
51 5DA3 58V 0.01304 0.40629 4.15094
52 4WVW SLT 0.006714 0.43986 4.16667
53 4QPW XYP XYP XYP 0.002897 0.43646 4.22535
54 2F7A BEZ 0.01217 0.41607 4.31034
55 2PFC PLM 0.00937 0.40911 4.37158
56 4WCX MET 0.001621 0.46846 4.375
57 4MNS 2AX 0.0279 0.40368 4.40252
58 3OQJ 3CX 0.01765 0.40829 4.66926
59 3KRR DQX 0.01009 0.43377 4.79574
60 4K55 H6P 0.0003602 0.51805 4.83871
61 5XVQ 8GC 0.01036 0.4168 4.92958
62 4Y8D 49J 0.00546 0.43429 5
63 2QX0 PH2 0.02712 0.40291 5.03145
64 4CLI 5P8 0.01198 0.41694 5.19878
65 4YMJ 4EJ 0.007051 0.43158 5.26316
66 5D9G GLU ASN LEU TYR PHE GLN 0.009455 0.41744 5.28455
67 2I74 MAN MAN MAN MAN 0.02199 0.40558 5.29101
68 3DLS ADP 0.01127 0.40532 5.37313
69 2YMZ LAT 0.0009112 0.44373 5.38462
70 2Z6D FMN 0.005927 0.40326 5.38462
71 5U6C 7YS 0.00312 0.40444 5.39683
72 4XH0 ADP 0.0146 0.41521 5.45906
73 1Q8Y ADE 0.02076 0.40044 5.63003
74 2D6M LBT 0.002253 0.45249 5.66038
75 4JGP PYR 0.01338 0.4151 5.99078
76 5U98 1KX 0.04053 0.40208 6.06061
77 2GTF P1R 0.001067 0.44917 6.11111
78 5L2J 70E 0.02849 0.41395 6.12245
79 5L2J 6UL 0.02698 0.41395 6.12245
80 2ZQO NGA 0.02055 0.40816 6.15385
81 43CA NPO 0.01772 0.41122 6.19469
82 3HMO STU 0.007253 0.40653 6.43275
83 4XMF HSM 0.002081 0.42637 6.52174
84 3KV5 OGA 0.017 0.40806 6.7623
85 4BCQ TJF 0.01483 0.40358 6.97674
86 4BCN T9N 0.01316 0.40213 7
87 2XMY CDK 0.03564 0.40733 7.04698
88 3QXV MTX 0.007481 0.40971 7.14286
89 2WZ5 MET 0.001815 0.46285 7.18954
90 3WG3 A2G GAL NAG FUC 0.01806 0.40347 7.30337
91 2G30 ALA ALA PHE 0.000927 0.42898 7.36434
92 5T7I LAT NAG GAL 0.008599 0.42645 7.74194
93 4AU8 Z3R 0.01194 0.40815 7.77027
94 1RZM E4P 0.01859 0.41304 7.98817
95 2WEL K88 0.005497 0.43717 8
96 4G9N NGA 0.01358 0.41928 8.39161
97 5EOB 5QQ 0.002643 0.45608 8.77743
98 4P5Z Q7M 0.008735 0.4184 8.86427
99 4DSU BZI 0.0008211 0.48322 8.99471
100 5FUI APY 0.003661 0.44415 9.09091
101 3B8I OXL 0.01984 0.40302 9.7561
102 1QKQ MAN 0.00001419 0.55795 9.85915
103 3CTR MGP 0.01833 0.40648 9.90099
104 2Q37 3AL 0.02213 0.4043 9.94475
105 4ZU4 4TG 0.008076 0.40443 10.1351
106 4W9N TCL 0.02506 0.40319 10.6195
107 1ULE GLA GAL NAG 0.0115 0.42386 10.6667
108 3SRV S19 0.009606 0.40471 10.8303
109 4NFN 2KC 0.007042 0.40711 11.3269
110 2PR5 FMN 0.006852 0.40055 11.3636
111 1DZK PRZ 0.001894 0.43273 11.465
112 2WT9 NIO 0.01451 0.41381 11.4894
113 1YQC GLV 0.03305 0.40391 11.7647
114 5J8O 6GZ 0.002571 0.40783 12.0968
115 4LO2 GAL BGC 0.01517 0.40942 12.2449
116 1N13 AG2 0.02254 0.40495 13.4615
117 4Q3F TLA 0.01595 0.40494 13.6752
118 5KAX RHQ 0.02154 0.40386 14.4578
119 4Q5H ANP 0.007344 0.40268 14.4737
120 3LTW HLZ 0.006447 0.43614 15
121 1C1L GAL BGC 0.01679 0.40489 15.3285
122 2WBV SIA 0.01132 0.43131 15.873
123 5KO1 6UY 0.007543 0.40576 19.0813
124 3LQV ADE 0.01244 0.43294 33.3333
Pocket No.: 2; Query (leader) PDB : 3T1A; Ligand: 5MA; Similar sites found: 489
This union binding pocket(no: 2) in the query (biounit: 3t1a.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO4 PIH 0.0001577 0.53316 None
2 1UO5 PIH 0.001725 0.48996 None
3 4DYO SD4 0.003186 0.41645 0.824742
4 3KMT SAH 0.0004253 0.43429 0.840336
5 1P72 ADP 0.003821 0.40533 0.898204
6 1P72 THM 0.00008418 0.40331 0.898204
7 3WE0 FAD 0.002699 0.42429 1.06572
8 1I9G SAM 0.009146 0.40598 1.07143
9 3NYQ AMP 0.002871 0.41237 1.18812
10 4O8A FAD 0.001893 0.41631 1.24334
11 1TIW FAD 0.003674 0.4142 1.24334
12 1TIW TFB 0.003674 0.4142 1.24334
13 2IXB NAD 0.0003628 0.44209 1.35135
14 2IXB A2G 0.0006504 0.44209 1.35135
15 3GTD MLI 0.002554 0.43163 1.45228
16 2TOH HBI 0.001688 0.40903 1.45773
17 4C2G ALA ALA ALA ALA 0.001155 0.4341 1.56951
18 1GSA GSH 0.002469 0.42377 1.58228
19 1GSA ADP 0.00389 0.42191 1.58228
20 1P9B IMO 0.000525 0.42665 1.58371
21 2Q1S NAI 0.001324 0.43598 1.59151
22 2IMP NAI 0.02149 0.4095 1.67015
23 2RCN GDP 0.00251 0.41549 1.67598
24 1KTC NGA 0.0002465 0.46776 1.7284
25 1DSS NAD 0.002341 0.40571 1.8018
26 1PEA ACM 0.0006184 0.48188 1.81818
27 3PLN U5P 0.0001571 0.47585 1.88679
28 2HGS ADP 0.0006157 0.42055 1.89873
29 4R33 SAH 0.0005691 0.43788 1.90476
30 4R33 TRP 0.0005691 0.43788 1.90476
31 2VAR AMP 0.0006731 0.43766 1.91693
32 2VAR KDF 0.002137 0.41331 1.91693
33 2VAR KDG 0.004186 0.40232 1.91693
34 4LWA Q13 0.002147 0.42395 1.92837
35 2ZJF BSU 0.0005798 0.44017 1.9337
36 1H2B NAJ 0.006194 0.40023 1.94986
37 2ZWS PLM 0.003421 0.47366 1.95382
38 1WDA BAG 0.004226 0.41154 1.95382
39 2V6O FAD 0.02051 0.40826 1.95382
40 3MB5 SAM 0.002839 0.42888 1.96078
41 3MD0 GDP 0.00219 0.42298 1.97183
42 3QV9 QV7 0.006947 0.413 2.00401
43 3IOI 1GW 0.005805 0.40004 2.01342
44 1R37 NAD 0.001455 0.42436 2.01729
45 4WBD CIT 0.01799 0.41166 2.03327
46 4WBD ADP 0.01428 0.41035 2.03327
47 1LCP PLU 0.0006266 0.42572 2.06612
48 1Z44 NPO 0.003719 0.47167 2.07101
49 4I9A NCN 0.002112 0.41181 2.08333
50 4PLG NAI 0.003806 0.41254 2.09581
51 4PLG OXM 0.003806 0.41254 2.09581
52 4KOA NDP 0.0001806 0.43717 2.1021
53 3I8P 840 0.0004867 0.42712 2.10773
54 1G0N NDP 0.000133 0.46765 2.12014
55 1G0N PHH 0.0002248 0.4628 2.12014
56 2YIV NBN 0.0001773 0.49817 2.13144
57 2Q28 ADP 0.0001567 0.42724 2.13144
58 2AMV BIN 0.01533 0.40058 2.13144
59 4NAO AKG 0.002442 0.44574 2.14724
60 2P8B NSK 0.02013 0.42041 2.16802
61 3DG6 MUC 0.001324 0.41629 2.17984
62 2GWD GLU 0.007305 0.402 2.22717
63 2PP3 LGT 0.0006114 0.42854 2.26131
64 3RO7 TDR 0.001632 0.41431 2.26415
65 4LHM AZZ 0.003573 0.42538 2.27273
66 3M0J OAF 0.003043 0.40889 2.28013
67 1XX4 BAM 0.004309 0.41907 2.29885
68 2AE2 PTO 0.0008187 0.44066 2.30769
69 2AE2 NAP 0.0008187 0.44066 2.30769
70 2YFT DQR 0.0007807 0.41985 2.30906
71 4A3R CIT 0.003639 0.41101 2.32558
72 4OB6 S2T 0.001989 0.40544 2.34604
73 2H6T IVA VAL VAL STA ALA STA 0.0007232 0.40846 2.35294
74 1RYI GOA 0.0004545 0.53189 2.35602
75 1Q3Q ANP 0.008449 0.41509 2.37226
76 2EWM NAD 0.0005445 0.43575 2.40964
77 4K5S FAD 0.003258 0.41037 2.42537
78 4K5S PM0 0.008165 0.41037 2.42537
79 1GPJ CIT 0.0009201 0.45763 2.47525
80 2Y7G AAE 0.0003553 0.43196 2.48227
81 4GYW UDP 0.0001624 0.45616 2.48668
82 4JP3 CIT 0.000701 0.43152 2.51046
83 4FFS BIG 0.0003121 0.40196 2.51046
84 4HZO COA 0.00004585 0.49796 2.51572
85 8CAT NDP 0.002083 0.40056 2.56917
86 1U5R ATP 0.000233 0.43846 2.58621
87 3TFC PEP 0.002613 0.42535 2.5974
88 2EB5 OXL 0.001872 0.44394 2.62172
89 4WVH ASP HIS ASP ALA HIS ALA 0.002955 0.41776 2.62664
90 1A59 COA 0.001216 0.40448 2.6455
91 1U7Z PMT 0.00209 0.41737 2.65487
92 3LZW FAD 0.004346 0.41149 2.71084
93 3LZW NAP 0.01214 0.40958 2.71084
94 1UBY DMA 0.0009628 0.40422 2.7248
95 4IXW IXW 0.003709 0.41381 2.75591
96 4J7H TLO 0.001094 0.40601 2.76008
97 2R42 FPS 0.001291 0.40567 2.78481
98 1QDS PGA 0.0003986 0.44648 2.78884
99 2YPO PHE 0.0002208 0.44829 2.81385
100 1LTH NAD 0.00345 0.43183 2.82132
101 1LYX PGA 0.0003156 0.43902 2.82258
102 4N7C AEF 0.0009541 0.46454 2.84091
103 2O2C G6Q 0.001189 0.41337 2.84192
104 4JWX 1N4 0.000307 0.46382 2.85714
105 2NCD ADP 0.01061 0.4051 2.85714
106 3P3N AKG 0.003453 0.43215 2.86533
107 2WA4 069 0.001265 0.42188 2.86533
108 3OND ADN 0.004136 0.42088 2.86885
109 3OND NAD 0.004136 0.42088 2.86885
110 1VJT NAD 0.0005854 0.41727 2.89855
111 3U1T MLI 0.001416 0.45665 2.91262
112 2GSD NAD 0.001196 0.42871 2.98507
113 1LL2 UPG 0.0002416 0.43241 3.003
114 1I0Z OXM 0.0408 0.40027 3.003
115 2R40 EPH 0.0001992 0.45067 3.00752
116 2R40 20E 0.0009407 0.41785 3.00752
117 2OWZ CIT 0.003978 0.42942 3.01205
118 2Q8M AMP 0.001042 0.42505 3.01205
119 3SCH TB6 0.0002188 0.48528 3.0303
120 1ZZ7 S0H 0.0001495 0.47673 3.0303
121 1C0I FAD 0.002327 0.42863 3.0303
122 1C0I BE2 0.002327 0.42863 3.0303
123 1M5B BN1 0.001637 0.44304 3.04183
124 1G8S MET 0.0008193 0.45986 3.04348
125 3E81 SLB 0.004569 0.4208 3.04878
126 4P4T GDP 0.001225 0.40437 3.05556
127 1QO0 BMD 0.002222 0.44065 3.06122
128 4N02 FNR 0.01462 0.40288 3.08123
129 3F3E LEU 0.0008116 0.43734 3.08285
130 2X61 NGA GAL SIA 0.01222 0.40878 3.10078
131 2X61 CH 0.007962 0.40272 3.10078
132 2PWY SAH 0.002521 0.4013 3.10078
133 1MG1 MAL 0.00238 0.40042 3.11111
134 1FP2 SAH 0.0003749 0.4097 3.125
135 2CKM AA7 0.002446 0.42392 3.13075
136 1J5P NAD 0.0022 0.40973 3.16206
137 4LIT AKG 0.003774 0.42436 3.1941
138 4RJK PYR 0.006415 0.43321 3.19716
139 1YBH FAD 0.002609 0.4208 3.19716
140 4RJK TPP 0.00006261 0.40525 3.19716
141 2H6B 3C4 0.0008515 0.45252 3.2
142 1PX8 XYP 0.00377 0.42438 3.2
143 1E4E PHY 0.0006448 0.42279 3.207
144 1E4E ADP 0.001553 0.40092 3.207
145 1I2B USQ 0.002313 0.43561 3.21782
146 1I2B UPG 0.002313 0.43561 3.21782
147 1I2B NAD 0.002313 0.43561 3.21782
148 1Q11 TYE 0.001216 0.43909 3.22581
149 1TUF AZ1 0.0009741 0.41733 3.22581
150 3CQD ATP 0.007586 0.40146 3.23625
151 1BDB NAD 0.001073 0.45893 3.2491
152 1MOQ GLP 0.001054 0.40656 3.26087
153 2NVK NAP 0.006569 0.40877 3.27869
154 2XDQ MGX 0.00003875 0.55149 3.32681
155 3SHR CMP 0.0004519 0.44437 3.34448
156 1NZY BCA 0.003174 0.40409 3.34572
157 3DAG FEG 0.0007133 0.42376 3.35196
158 3FPZ AHZ 0.01324 0.41815 3.37423
159 1JN2 SFP 0.009686 0.45016 3.37553
160 3KMZ EQO 0.0001462 0.40225 3.38346
161 1WNG SAH 0.001003 0.40155 3.39623
162 2FR6 CTN 0.0001992 0.4308 3.42466
163 1OTH PAO 0.0005559 0.43686 3.42679
164 3V91 UPG 0.0001626 0.41399 3.43643
165 2JFV FLC 0.01155 0.40883 3.43643
166 1Q0H FOM 0.002974 0.42458 3.44828
167 1Q0H NDP 0.004896 0.41808 3.44828
168 3PVT 3HC 0.002661 0.41829 3.4749
169 2JAR UMP 0.001426 0.40216 3.5
170 3BW2 FMN 0.003316 0.40621 3.52304
171 4HA6 FAD 0.0003443 0.45808 3.54331
172 2ZJ5 ADP 0.0008656 0.45174 3.5524
173 1GJW GLC 0.004459 0.43369 3.5524
174 4C6F DOR 0.001521 0.42392 3.56234
175 4C6F NCD 0.001521 0.42392 3.56234
176 2Z9V PXM 0.002146 0.42889 3.57143
177 1EYE PMM 0.004323 0.40179 3.57143
178 3FSJ D7K 0.02791 0.40062 3.59848
179 9LDT OXM 0.003298 0.46425 3.61446
180 9LDB NAD 0.004975 0.4012 3.61446
181 1UF5 CDT 0.002741 0.414 3.63036
182 2C5S AMP 0.00357 0.41448 3.63196
183 1WKL ADP 0.0009488 0.40809 3.64964
184 1PL6 572 0.004934 0.40382 3.65169
185 1T8U UAP SGN IDS SGN 0.0009709 0.43564 3.67647
186 1PR9 NAP 0.0002913 0.44843 3.68852
187 3D3W NAP 0.003484 0.40677 3.68852
188 1FW1 GSH 0.002974 0.40346 3.7037
189 1I2L DCS 0.0006246 0.40798 3.71747
190 1V7R CIT 0.01265 0.43368 3.73002
191 3TKA CTN 0.003388 0.47779 3.7464
192 1MXI SAH 0.0007626 0.41127 3.75
193 2BO4 FLC 0.0007442 0.4695 3.77834
194 4GQB 0XU 0.008825 0.41142 3.77907
195 2DTX BMA 0.0005628 0.44559 3.78788
196 3RK0 AMP 0.0002498 0.44836 3.79747
197 1EB9 HBA 0.0028 0.40889 3.81679
198 3IU9 T07 0.007256 0.4184 3.81944
199 3N5O GSH 0.0007132 0.41225 3.82979
200 1LC8 33P 0.0007191 0.4253 3.84615
201 3L24 GOA 0.002285 0.46314 3.86847
202 5YAS FAC 0.0001478 0.4089 3.89105
203 5XHA FRU FRU 0.004011 0.40759 3.90764
204 4KCF AKM 0.00147 0.40939 3.96476
205 4KCF FMN 0.0005042 0.40836 3.96476
206 2J7T 274 0.0004461 0.43583 3.97351
207 2B4Q NAP 0.002423 0.41109 3.98551
208 1JA9 PYQ 0.0002335 0.44583 4.0146
209 1JA9 NDP 0.01708 0.40926 4.0146
210 1XHL NDP 0.00528 0.40153 4.0404
211 1ZK7 FAD 0.004137 0.41912 4.06852
212 3UEC ALA ARG TPO LYS 0.001405 0.4568 4.10959
213 4EXO PYR 0.003474 0.44599 4.10959
214 4INB 1F6 0.0002758 0.42831 4.10959
215 3QP6 HL6 0.00007891 0.43012 4.15094
216 3ZPG 5GP 0.002096 0.46501 4.18848
217 4NE2 SH2 0.002425 0.41747 4.19162
218 2HGZ PBF 0.000111 0.45008 4.24837
219 4OYA 1VE 0.01833 0.41971 4.25532
220 3GM5 CIT 0.002375 0.43936 4.26288
221 1QPB PYM 0.003142 0.40277 4.26288
222 1JIL 485 0.0005577 0.41798 4.28571
223 3CEV ARG 0.0000901 0.47843 4.34783
224 5RHN 8BR 0.002317 0.40309 4.34783
225 3TO7 COA 0.008311 0.40102 4.34783
226 3IL6 B83 0.001687 0.40175 4.36137
227 1Y1A GSH 0.0004867 0.51931 4.37158
228 1X54 4AD 0.001204 0.41413 4.37788
229 2PTZ PAH 0.0001188 0.4288 4.39815
230 3NKS FAD 0.00169 0.42558 4.40252
231 4AQL TXC 0.0007391 0.40789 4.41176
232 2BOI MFU 0.002967 0.42307 4.42478
233 1Z45 NAD 0.003254 0.40651 4.4405
234 3EW2 BTN 0.0003154 0.45666 4.44444
235 2YBQ SAH 0.001719 0.40147 4.45205
236 1DLJ UGA 0.004792 0.42011 4.47761
237 4AIG FLX 0.0002567 0.4016 4.47761
238 1DLJ NAI 0.01472 0.40127 4.47761
239 4IHQ ADP 0.005924 0.40566 4.48343
240 3AYS CT3 0.005304 0.40287 4.52128
241 1SQ5 ADP 0.0004849 0.43753 4.54545
242 3CL7 HYN 0.001243 0.41365 4.54545
243 1SQ5 PAU 0.006653 0.40853 4.54545
244 1FIQ MTE 0.001225 0.42168 4.57143
245 1FIQ SAL 0.001463 0.42168 4.57143
246 1FIQ FAD 0.002073 0.41875 4.57143
247 2C7G FAD 0.007763 0.41582 4.60526
248 2C7G ODP 0.01034 0.41022 4.60526
249 2NLI LAC 0.01964 0.40197 4.61957
250 2NLI FMN 0.01819 0.40197 4.61957
251 3VPD ANP 0.0007546 0.41558 4.62633
252 1JUV NDP 0.001288 0.41639 4.66321
253 4M51 BEZ 0.002986 0.44913 4.68384
254 1GU3 BGC BGC BGC BGC BGC 0.007339 0.40677 4.69799
255 2Y6P CTP 0.001063 0.42997 4.70085
256 4G1V FAD 0.003763 0.40147 4.7619
257 2Q1A 2KT 0.008218 0.41541 4.77816
258 1WL4 COA 0.01025 0.40235 4.78589
259 3ZLM ANP 0.001523 0.4012 4.78723
260 3A1I UNU 0.0003464 0.44884 4.79846
261 3O03 NAP 0.01684 0.40329 4.811
262 1V6A TRE 0.003142 0.42777 4.81928
263 2YC5 6BC 0.0001721 0.45955 4.82456
264 1V1A ADP 0.0006156 0.43086 4.85437
265 1UXG FUM 0.002032 0.42374 4.85437
266 1UXG NAD 0.002032 0.42374 4.85437
267 2GDZ NAD 0.0008383 0.42758 4.86891
268 2JBH 5GP 0.001484 0.42975 4.88889
269 3HB5 E2B 0.0001227 0.40894 4.89297
270 1XVV CCQ 0.005385 0.40906 4.90196
271 4JEJ 1GP 0.001915 0.4151 4.91803
272 3GE7 AFQ 0.005157 0.40312 4.92228
273 2OFE NAG 0.00399 0.42936 4.92958
274 2QCX PF1 0.0008083 0.45301 4.94297
275 2Q8H TF4 0.0002024 0.51567 4.97336
276 2BNF UTP 0.003357 0.41565 4.97925
277 3BK2 U5P 0.000217 0.41239 4.98221
278 2P1M IHP 0.002978 0.40205 5
279 3NCQ ATP 0.001361 0.40687 5.04202
280 2IZ1 ATR 0.0005919 0.46612 5.06329
281 4O1M NAD 0.0002057 0.44939 5.07937
282 1Y75 NAG 0.003307 0.4158 5.08475
283 1Y42 TYR 0.00017 0.47443 5.10204
284 2WQP WQP 0.002074 0.40912 5.15759
285 4W6Z ETF 0.001041 0.48019 5.18732
286 2A0W DIH 0.001326 0.4252 5.19031
287 1XIU REA 0.002137 0.4002 5.21739
288 3PJU C2E 0.003588 0.40074 5.22088
289 1D09 PAL 0.01269 0.42894 5.22876
290 3DGB MUC 0.0003211 0.44426 5.2356
291 3ZOD FMN 0.0008414 0.4229 5.2356
292 3ZOD HQE 0.0008414 0.4229 5.2356
293 1H8G CHT 0.0272 0.42408 5.26316
294 1TUV VK3 0.01787 0.41841 5.26316
295 2QS8 MET 0.002711 0.40796 5.26316
296 1D3V ABH 0.002623 0.40398 5.26316
297 4B8V NDG NAG NAG NAG 0.003457 0.40131 5.26316
298 1G7V PAI 0.002731 0.42005 5.28169
299 2Q09 DI6 0.006523 0.40398 5.28846
300 3C1O NAP 0.0008252 0.41983 5.29595
301 1B55 4IP 0.0005699 0.40075 5.32544
302 2OYS FMN 0.0006235 0.4184 5.3286
303 2HFK E4H 0.001634 0.43379 5.32915
304 4KQI RBZ 0.0003157 0.44426 5.33708
305 4KQI NIO 0.0003157 0.44426 5.33708
306 3U4C NDP 0.001182 0.42079 5.33808
307 1R6D NAD 0.001593 0.4411 5.34125
308 1R6D DAU 0.002316 0.43397 5.34125
309 1OGD RIP 0.002323 0.42746 5.34351
310 1F5F DHT 0.001028 0.41116 5.36585
311 2XVE FAD 0.01398 0.40913 5.38793
312 3CF6 SP1 0.002184 0.40401 5.38922
313 2BNE U5P 0.004016 0.40767 5.39419
314 1EYQ NAR 0.004221 0.41156 5.40541
315 2ALG DAO 0.00002933 0.46357 5.43478
316 2ALG HP6 0.00002933 0.46357 5.43478
317 3F81 STT 0.0003941 0.50124 5.46448
318 3ICC NAP 0.001171 0.42518 5.4902
319 3JQ3 ADP 0.003249 0.41114 5.50622
320 1MZV AMP 0.003611 0.40936 5.53191
321 3ZUY TCH 0.003265 0.41105 5.57276
322 4NTD FAD 0.00043 0.44875 5.58824
323 3P7I P7I 0.0008996 0.44451 5.60748
324 1S8F GDP 0.0003611 0.43688 5.64972
325 4M5P MLA 0.0006764 0.50017 5.65111
326 4M5P 23W 0.003998 0.44306 5.65111
327 1MVN PCO 0.01545 0.40442 5.74163
328 4IAE 1DX 0.005696 0.41681 5.82011
329 1H16 PYR 0.001055 0.47077 5.86146
330 1H16 DTL 0.01313 0.42514 5.86146
331 1YOE RIB 0.0007902 0.427 5.90062
332 2PT9 2MH 0.0005465 0.43986 5.919
333 2PT9 S4M 0.0003962 0.43268 5.919
334 2BLE 5GP 0.01463 0.40704 5.99455
335 4KCT PYR 0.00027 0.45936 6.01202
336 4KCT FDP 0.002082 0.41374 6.01202
337 3OIG NAD 0.004972 0.42557 6.01504
338 2V7T SAH 0.005305 0.43859 6.02007
339 4IVG ANP 0.00814 0.41122 6.03908
340 3QP4 HL0 0.0004224 0.4293 6.04396
341 3K37 BCZ 0.02838 0.40351 6.04534
342 1CKM GTP 0.0002251 0.46252 6.06061
343 3GEG NAD 0.001234 0.41861 6.07287
344 3SQG COM 0.000411 0.51146 6.09319
345 1H0C AOA 0.007678 0.4228 6.12245
346 2DWU DGL 0.003395 0.41535 6.15942
347 1V2X SAM 0.0001203 0.44048 6.18557
348 2QA1 FAD 0.006364 0.4021 6.2
349 3B1F NAD 0.001104 0.41186 6.2069
350 1KDK DHT 0.0009338 0.41435 6.21469
351 1VQ2 DDN 0.001195 0.40077 6.21762
352 3HZS M0E 0.004764 0.41305 6.2201
353 2B7N NTM 0.0003828 0.4669 6.22711
354 3FXU TSU 0.002316 0.40425 6.22951
355 1E7S NAP 0.001539 0.42089 6.23053
356 4CO3 ATP 0.001956 0.42908 6.25
357 4K30 NLG 0.003527 0.41996 6.25
358 3O2K QRP 0.004023 0.40754 6.32911
359 1YHM AHD 0.003443 0.42607 6.35359
360 3P0K FAD 0.0008532 0.41569 6.39098
361 1XE7 GUN 0.008351 0.435 6.40394
362 2Y7P SAL 0.002819 0.42399 6.42202
363 1Q3P GLU ALA GLN THR ARG LEU 0.001079 0.41487 6.42202
364 3MAG 3MA 0.02952 0.41429 6.51466
365 3WBF API 0.001057 0.42813 6.55738
366 3WBF NAP 0.001208 0.42044 6.55738
367 4JCA CIT 0.02996 0.41395 6.58683
368 1A8S PPI 0.004822 0.40221 6.59341
369 2VDJ HSE 0.005349 0.437 6.64452
370 1WVG CXY 0.0008979 0.41493 6.68524
371 1WVG APR 0.002048 0.40774 6.68524
372 3UST FAD 0.0008469 0.40012 6.74157
373 1FS5 TLA 0.0009534 0.42179 6.76692
374 1EP2 ORO 0.0003994 0.44483 6.89655
375 1EP2 FMN 0.002047 0.41083 6.89655
376 1EDO NAP 0.001538 0.45133 6.96721
377 1L1Q 9DA 0.001437 0.40409 6.98925
378 3I51 45C 0.003771 0.40403 7.03704
379 3OZG SSI 0.0003073 0.41725 7.2
380 1V35 NAI 0.0003858 0.45401 7.29483
381 3NFZ 3NF 0.004619 0.40071 7.33945
382 1IM8 SAI 0.002042 0.40086 7.37705
383 2QLX RM4 0.00009244 0.51118 7.40741
384 1BTN I3P 0.00002994 0.59598 7.54717
385 3K3K A8S 0.0002965 0.42725 7.58294
386 1TDF FAD 0.001356 0.4385 7.59494
387 1TDF NAP 0.004794 0.43272 7.59494
388 2W3L DRO 0.03508 0.40361 7.63889
389 3K3G MMU 0.002882 0.42643 7.64706
390 2BZ1 TAU 0.00102 0.50245 7.65306
391 4CCO OGA 0.001228 0.43893 7.70878
392 1WRA PC 0.0001914 0.49664 7.79221
393 2YDW WSH 0.001391 0.42543 7.84314
394 2VBQ BSJ 0.0004615 0.44254 7.87879
395 3F8C HT1 0.004106 0.42279 7.93651
396 3I0O SMI 0.001127 0.44684 7.9646
397 3I0O ADP 0.001626 0.4228 7.9646
398 1RZM PEP 0.003795 0.41864 7.98817
399 3A2Q ACA ACA 0.0005772 0.41135 7.9929
400 4GO7 THR 0.0004446 0.44464 8
401 2HJ3 FAD 0.001317 0.40734 8
402 1UOU CMU 0.0003789 0.43612 8.01688
403 1T0S BML 0.00006172 0.52978 8.13953
404 3BHO B4P 0.005436 0.4529 8.17308
405 3T2W BTN 0.0002374 0.40471 8.19672
406 1R6W 164 0.0003059 0.41672 8.38509
407 4BMO FMN 0.001319 0.41443 8.40336
408 1ZJ6 G3D 0.002266 0.41235 8.55615
409 2NX1 PEP 0.002547 0.40747 8.61423
410 3B96 MYA 0.001485 0.40361 8.70337
411 2FOI JPA 0.002111 0.41841 8.92193
412 4E28 9MZ 0.007888 0.4162 8.92308
413 3DER ALA LYS 0.0009677 0.40218 8.98551
414 1KOL NAD 0.002809 0.41629 9.04523
415 1H9G COA MYR 0.001787 0.4114 9.0535
416 2FYU FDN 0.0006562 0.41346 9.09091
417 1OAA OAA 0.001234 0.43713 9.26641
418 3S9K CIT 0.0007201 0.52953 9.32203
419 3TA2 AKG 0.000951 0.42414 9.32203
420 1EXB NDP 0.02536 0.40341 9.33735
421 2YLD CMO 0.004895 0.42541 9.44882
422 1JH7 UVC 0.007604 0.41131 9.52381
423 4B4D FAD 0.001506 0.40536 9.54198
424 4RPM HXC 0.03621 0.41716 9.85222
425 1LNX URI 0.001228 0.43892 9.87654
426 4TSK NDP 0.01419 0.40622 10
427 3ZS7 ATP 0.001654 0.40583 10
428 1OLS TDP 0.01141 0.40146 10
429 4LSJ LSJ 0.0008103 0.41453 10.0775
430 1VDC FAD 0.007837 0.41024 10.2102
431 4PO2 ASN ARG LEU LEU LEU THR GLY 0.0008892 0.41508 10.2128
432 2C1Q BTN 0.008401 0.40185 10.3175
433 4TMK T5A 0.0106 0.43346 10.3286
434 2O66 FLC 0.001358 0.44337 10.3704
435 4BCS BTN 0.0008476 0.40046 10.4
436 3L6R MLI 0.01475 0.40968 10.4046
437 3BL6 FMC 0.001046 0.40668 10.4348
438 1SS4 CIT 0.001213 0.50279 10.4575
439 1SS4 GSH 0.002161 0.49362 10.4575
440 4NVP 7CH 0.002074 0.41996 10.5263
441 1Y2W NAG 0.007679 0.41672 10.5634
442 1EZV SMA 0.002751 0.4048 10.8108
443 1LDM NAD 0.006133 0.42467 10.9422
444 2VKL MLT 0.03847 0.40819 11.1111
445 3PXP MYR 0.000856 0.4139 11.3014
446 4COQ SAN 0.005734 0.42236 11.336
447 1NU4 MLA 0.0008104 0.50793 11.3402
448 1DXY COI 0.001437 0.4732 11.4114
449 1Y9Q MED 0.0004868 0.46989 11.4583
450 1X1T NAD 0.002393 0.4449 11.5385
451 4DVE BTN 0.0001979 0.40632 11.6162
452 4B9E FAH 0.0128 0.41254 11.6279
453 3QDT A2G GAL 0.003587 0.44532 11.8881
454 3QDY A2G GAL 0.003924 0.44345 11.8881
455 3QDY CBS 0.02028 0.40327 11.8881
456 1Y7P RIP 0.01501 0.41545 12.1076
457 1HDR NAD 0.00514 0.41811 12.2951
458 2F01 BTN 0.005144 0.42837 12.5984
459 2F01 BTQ 0.005144 0.42837 12.5984
460 3RF4 FUN 0.001157 0.43999 12.931
461 4LXH C1E 0.001055 0.40292 12.9964
462 4F4S EFO 0.004534 0.41544 13.1579
463 1UWZ THU 0.0001819 0.42245 13.2353
464 1QD0 RR6 0.0001856 0.45321 13.2812
465 1SC3 MLI 0.005329 0.43707 13.6364
466 1ECM TSA 0.0004848 0.44919 13.7615
467 2V5E SCR 0.001868 0.47714 13.8614
468 3FC2 IBI 0.00009793 0.46091 14.0299
469 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.004802 0.41966 14.1026
470 1LVL FAD 0.008119 0.40619 14.1921
471 3R51 MMA 0.01227 0.42662 14.375
472 2BGM NAJ 0.00299 0.4328 14.3885
473 2BGM MAX 0.001314 0.41281 14.3885
474 2HV8 GTP 0.0005806 0.42513 14.5349
475 2OZE AGS 0.0009879 0.4075 14.7651
476 4G28 0W8 0.001275 0.43239 16.6667
477 1NVU GTP 0.01525 0.40361 18.0723
478 2P8O BVA 0.001732 0.40335 18.5567
479 3BY8 MLT 0.0008528 0.46678 19.7183
480 3VHZ L2P GLC MAN SGA 0.02168 0.40422 20.6107
481 4NAT ADP 0.03156 0.40358 21.875
482 2IYG FMN 0.0002758 0.44675 22.5806
483 1YRX FMN 0.00003142 0.47557 23.1405
484 3KJQ B94 0.004477 0.40122 23.1579
485 3IBH GSH 0.0008192 0.40387 24.0343
486 1TU3 GNP 0.0008971 0.42028 24.0506
487 2D0V PQQ 0.00122 0.4065 29.1667
488 1YOA FMN 0.01606 0.43673 29.5597
489 2E1A MSE 0.0002628 0.45983 32
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