Receptor
PDB id Resolution Class Description Source Keywords
3A8U 1.4 Å EC: 2.6.1.18 CRYSTAL STRUCTURE OF OMEGA-AMINO ACID:PYRUVATE AMINOTRANSFER PSEUDOMONAS PUTIDA LARGE PLEATED SHEET TRANSAMINASE AMINOTRANSFERASE PYRIDOXPHOSPHATE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF OMEGA-AMINO ACID:PYRUVATE AMINOTRANSFERASE TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLP X:450;
Valid;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3A8U 1.4 Å EC: 2.6.1.18 CRYSTAL STRUCTURE OF OMEGA-AMINO ACID:PYRUVATE AMINOTRANSFER PSEUDOMONAS PUTIDA LARGE PLEATED SHEET TRANSAMINASE AMINOTRANSFERASE PYRIDOXPHOSPHATE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF OMEGA-AMINO ACID:PYRUVATE AMINOTRANSFERASE TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3A8U - PLP C8 H10 N O6 P Cc1c(c(c(c....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4UHM - PLP C8 H10 N O6 P Cc1c(c(c(c....
2 4UHN - PLP C8 H10 N O6 P Cc1c(c(c(c....
3 4UHO - PLP C8 H10 N O6 P Cc1c(c(c(c....
4 4BQ0 - PLP C8 H10 N O6 P Cc1c(c(c(c....
5 4B9B - PLP C8 H10 N O6 P Cc1c(c(c(c....
6 4B98 - PXG C15 H17 N2 O7 P Cc1c(c(c(c....
7 3A8U - PLP C8 H10 N O6 P Cc1c(c(c(c....
50% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4WYC Kd = 15 uM 3VS C10 H9 N3 O c1cc(ccc1C....
2 4CXR - 2BG C8 H8 N2 S c1ccc2c(c1....
3 3TFU - PL8 C16 H22 N3 O7 P Cc1c(c(c(c....
4 4MQR - 2B9 C14 H15 N4 O6 P CC1=C(/C(=....
5 4MQP - 2B1 C15 H15 N4 O5 P S Cc1c(c(c(c....
6 4XJO Kd = 132 nM 41O C20 H17 Cl N2 O2 c1cc(cc(c1....
7 5KGS Kd = 74 nM 6SR C21 H20 N2 O4 c1cc2c(cc1....
8 4W1W ic50 = 0.195 uM 3G8 C18 H17 N O3 S CCN(CC)c1c....
9 4WYG Kd = 6.8 uM 3W1 C11 H12 Cl N3 c1cc(ccc1C....
10 4MQQ - 2B6 C16 H15 N4 O6 P S Cc1c(c(c(c....
11 4XEW ic50 = 0.44 uM 40N C16 H10 F N O3 c1ccc(c(c1....
12 4W1V ic50 = 0.659 uM 3GS C16 H14 F N O5 S COC(=O)c1c....
13 4XJP Kd = 108 nM 41N C20 H20 N2 O4 CC(=O)c1cc....
14 4WYF Kd = 21.7 uM 3VX C11 H9 N O2 CC(=O)Nc1c....
15 4WYA Kd = 6.9 uM 3VQ C10 H8 N2 O S c1ccnc(c1)....
16 4W1X - 3G9 C19 H19 Cl N2 O2 CC(=O)c1cc....
17 5KGT - 6SQ C20 H20 Cl N O2 CC(=O)c1cc....
18 4WYE Kd = 41.8 uM 3VW C12 H15 N O c1ccc(cc1)....
19 4CXQ - KAP C9 H17 N O3 C[C@@H](C(....
20 4WYD Kd = 11.7 uM 3VR C12 H15 N3 CNCc1ccc(c....
21 3LV2 - SFG C15 H23 N7 O5 c1nc(c2c(n....
22 5TE2 - 7B9 C16 H22 N3 O7 P Cc1c(c(c(c....
23 4B9B - PLP C8 H10 N O6 P Cc1c(c(c(c....
24 4B98 - PXG C15 H17 N2 O7 P Cc1c(c(c(c....
25 1MLZ - TZA PLP n/a n/a
26 1MLY - ACZ PLP n/a n/a
27 1S07 - PLP C8 H10 N O6 P Cc1c(c(c(c....
28 3DU4 - KAP C9 H17 N O3 C[C@@H](C(....
29 3A8U - PLP C8 H10 N O6 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLP; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 PLP 1 1
2 PZP 0.729167 0.843137
3 EXT 0.62069 0.8
4 AN7 0.603448 0.918367
5 EPC 0.603448 0.862745
6 FOO 0.59322 0.849057
7 PLR 0.58 0.895833
8 4LM 0.57377 0.818182
9 0JO 0.57377 0.803571
10 P3D 0.571429 0.704918
11 MPM 0.564516 0.814815
12 KOU 0.555556 0.836364
13 HCP 0.546875 0.77193
14 6DF 0.545455 0.811321
15 PXL 0.541667 0.659574
16 Z98 0.537313 0.75
17 PXP 0.537037 0.862745
18 PMP 0.527273 0.767857
19 P0P 0.527273 0.916667
20 PL6 0.522388 0.818182
21 GT1 0.517857 0.830189
22 PFM 0.514706 0.803571
23 LLP 0.5 0.737705
24 PL5 0.479452 0.775862
25 PUS 0.479452 0.707692
26 MPL 0.473684 0.836364
27 PLG 0.46875 0.75
28 IN5 0.46875 0.758621
29 P89 0.466667 0.714286
30 PLP PUT 0.463768 0.684211
31 5DK 0.460526 0.725806
32 O1G 0.454545 0.75
33 PLP ABU 0.450704 0.706897
34 PLT 0.439024 0.762712
35 X04 0.431034 0.851852
36 PP3 0.426471 0.762712
37 P1T 0.426471 0.714286
38 PDD 0.426471 0.762712
39 PDA 0.426471 0.762712
40 IK2 0.42029 0.714286
41 33P 0.42029 0.745763
42 2BO 0.414286 0.793103
43 PLS 0.414286 0.779661
44 PMH 0.414286 0.619718
45 5PA 0.414286 0.714286
46 TLP 0.414286 0.793103
47 2BK 0.414286 0.793103
48 C6P 0.408451 0.75
49 PPD 0.408451 0.75
50 QLP 0.405405 0.681818
51 MP5 0.403509 0.666667
52 PY5 0.402778 0.703125
53 PLA 0.402778 0.703125
54 HEY 0.4 0.703125
55 PLP PHE 0.4 0.732143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3A8U; Ligand: PLP; Similar sites found: 254
This union binding pocket(no: 1) in the query (biounit: 3a8u.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4PNO U5P 0.0008178 0.43364 None
2 1PTR PRB 0.01095 0.424 None
3 1UO5 PIH 0.04082 0.42187 None
4 2XI7 XI7 0.03286 0.42724 1.08696
5 1SQ5 ADP 0.007749 0.40075 1.2987
6 1VCO GLN 0.00001438 0.44417 1.55902
7 3DDN HPV 0.009891 0.41478 1.55902
8 2XBN PMP 0.009921 0.43195 1.63934
9 2F7C CCU 0.000313 0.48087 1.71674
10 3FPZ AHZ 0.0001284 0.47803 1.84049
11 2Q3M MLA 0.01354 0.43269 1.84049
12 1A5Z OXM 0.0001743 0.51874 1.88088
13 1A5Z FBP 0.0004277 0.42536 1.88088
14 4HZO COA 0.0009762 0.45266 1.88679
15 4AF0 MOA 0.000003153 0.47488 2.00445
16 1V5F TPP 0.01275 0.42473 2.00445
17 1V5F FAD 0.01275 0.42473 2.00445
18 4RJK PYR 0.04392 0.40041 2.00445
19 2Z9V PXM 0.0007312 0.44971 2.04082
20 2GN2 C5P 0.0001729 0.44837 2.04678
21 1RYD GLC 0.002533 0.44723 2.06718
22 3ZPG 5GP 0.001698 0.4789 2.09424
23 3IHB TRS 0.002726 0.50921 2.19298
24 3L24 GOA 0.008241 0.44376 2.22717
25 3QV9 QV7 0.004844 0.42848 2.22717
26 2XDQ MGX 0.01992 0.42403 2.22717
27 4WBD ADP 0.02004 0.41151 2.22717
28 4WBD CIT 0.02757 0.41052 2.22717
29 4P87 4NP 0.0003457 0.40211 2.22717
30 1EYQ NAR 0.009653 0.40553 2.25225
31 1HQL GLA MBG 0.007125 0.43286 2.33463
32 5DS8 GLY 5CT GLY ALA 0.006455 0.44169 2.33645
33 5DUB GLY 5GG GLY ALA 0.0155 0.4262 2.33645
34 3BHO B4P 0.01925 0.43212 2.40385
35 2J0W ASP 0.005346 0.43877 2.44989
36 2IMP LAC 0.0005853 0.42075 2.44989
37 2VQ5 HBA 0.01881 0.41282 2.48756
38 2FMD MAN MAN 0.000009399 0.48145 2.5
39 1O9U ADZ 0.01589 0.4291 2.57143
40 3CL7 HYN 0.0005169 0.40712 2.5974
41 2EB5 OXL 0.002827 0.44505 2.62172
42 3RKR NAP 0.00461 0.41402 2.67176
43 3VKX T3 0.0001677 0.43682 2.68199
44 1C4U IH1 0.001797 0.40615 2.7027
45 4F2Q QUS 0.006201 0.40042 2.71318
46 2Q1A 2KT 0.01195 0.41644 2.73038
47 3PHQ KDO 0.01235 0.45917 2.76498
48 3P7I P7I 0.007202 0.41566 2.80374
49 1CBF SAH 0.004555 0.40147 2.80702
50 3LTW HLZ 0.00645 0.4287 2.85714
51 4O8A 2OP 0.03177 0.41354 2.89532
52 3GTD MLI 0.01741 0.40391 2.89532
53 2TOH HBI 0.0006995 0.4031 2.91545
54 3CQ5 PMP 0.0003453 0.46526 2.98103
55 1UUY PPI 0.0001615 0.53115 2.99401
56 1G8S MET 0.003152 0.44289 3.04348
57 1H16 DTL 0.01468 0.43087 3.11804
58 1H16 PYR 0.02464 0.41294 3.11804
59 1LTH OXM 0.0004559 0.45424 3.1348
60 1LTH FBP 0.00219 0.45011 3.1348
61 1YOA FMN 0.008469 0.46051 3.14465
62 1GVF PGH 0.001783 0.44152 3.14685
63 1TV5 ORO 0.0003759 0.43875 3.16027
64 4M2K PLP 0.004919 0.40302 3.20197
65 4FUA PGH 0.00002465 0.43596 3.25581
66 2FWP ICR 0.00001624 0.47108 3.27869
67 2FWP CIT 0.00006647 0.44512 3.27869
68 1A8S PPI 0.0006702 0.44477 3.2967
69 1V6A TRE 0.01769 0.40359 3.31325
70 1DFO PLG 0.002853 0.45423 3.35731
71 3TA2 AKG 0.0001936 0.40244 3.38983
72 1V8K ANP 0.00004225 0.40723 3.41463
73 3I7S PYR 0.03445 0.40569 3.42466
74 3VPQ GSH 0.006302 0.42343 3.43137
75 1XX4 BAM 0.001629 0.4462 3.44828
76 1M32 PLP 0.003025 0.42974 3.55191
77 3TKA CTN 0.002805 0.49171 3.56347
78 1GJW GLC 0.007045 0.43309 3.56347
79 2DUA OXL 0.00003192 0.42416 3.56347
80 1KC7 PPR 0.01772 0.41406 3.56347
81 2NZ2 ASP 0.00005208 0.50685 3.63196
82 3EYK EYK 0.006852 0.4275 3.71517
83 3K56 IS3 0.003659 0.40908 3.7594
84 2JE7 XMM 0.0001394 0.41365 3.76569
85 3NOJ PYR 0.001731 0.44506 3.78151
86 2ZWS PLM 0.00412 0.47808 3.78619
87 2YIV YIV 0.008793 0.43508 3.78619
88 1NOW IFG 0.01862 0.40261 3.78619
89 1JN2 SFP 0.01831 0.44742 3.79747
90 3F81 STT 0.002293 0.47222 3.82514
91 4DN8 BMA 0.0001492 0.50327 3.84615
92 1QH9 LAC 0.02458 0.40205 3.87931
93 3I6B KDO 0.004946 0.42263 3.88889
94 3PNA CMP 0.002549 0.42944 3.8961
95 3ZRR PXG 0.000069 0.41513 3.90625
96 1QD0 RR6 0.005452 0.40669 3.90625
97 3VPD BUA 0.00161 0.51012 3.91459
98 3VPD CIT 0.007742 0.45338 3.91459
99 1SS4 CIT 0.003676 0.50208 3.92157
100 1SS4 GSH 0.03423 0.42744 3.92157
101 3GD8 BOG 0.00006159 0.54091 4.03587
102 3OAZ 2M5 0.0203 0.43486 4.03587
103 1YOE RIB 0.00007035 0.41288 4.03727
104 3WGC PLG 0.0002047 0.42513 4.10557
105 3QDW A2G 0.01644 0.42834 4.1958
106 3QDX CBS 0.01323 0.4201 4.1958
107 3QDY CBS 0.01653 0.41549 4.1958
108 4LNL 2BK 0.00009874 0.46251 4.2042
109 4LNL PLG 0.0002413 0.43105 4.2042
110 4LNL 2BO 0.0002549 0.42135 4.2042
111 3U1T MLI 0.007961 0.43057 4.20712
112 4MOB ADP 0.001945 0.41293 4.21687
113 2F2U M77 0.008919 0.40253 4.22886
114 2NW9 FT6 0.01118 0.41244 4.24837
115 3ZF8 GDP 0.004239 0.41548 4.2623
116 5DTF 5CT 0.004677 0.45237 4.34783
117 1ONX ASP 0.0002592 0.40629 4.35897
118 5T63 ALA ALA ALA ALA 0.0009872 0.40549 4.35967
119 3R51 MMA 0.008404 0.44333 4.375
120 1YFZ IMP 0.01638 0.40509 4.39024
121 4A3X LAT 0.003735 0.46138 4.40529
122 1J2Z SOG 0.004409 0.40005 4.44444
123 1FA2 DOM 0.00003018 0.42311 4.45434
124 4TSK TLA 0.0009858 0.41309 4.45434
125 4B16 NAG 0.04469 0.41229 4.45434
126 4AP9 1PS 0.0005539 0.42156 4.47761
127 3L6R MLI 0.00427 0.44339 4.62428
128 1Y0L HAN 0.0317 0.42041 4.62963
129 1PEA ACM 0.01673 0.42128 4.67532
130 1YBH P22 0.008901 0.40256 4.67706
131 2BMK PDD 0.01584 0.41354 4.69484
132 3O03 GCO 0.04158 0.40745 4.811
133 1LW4 TLP 0.00009404 0.52899 4.89914
134 1LW4 PLP 0.00007597 0.52872 4.89914
135 4HVK PMP 0.001764 0.44713 4.97382
136 4AIG FLX 0.003334 0.41966 4.97512
137 3UBW 6SP 0.01256 0.43592 4.98084
138 2PMP C5P 0.005628 0.40201 5
139 3BLI PYR 0.02294 0.40871 5.04451
140 1Z6K OAA 0.004928 0.4106 5.11945
141 1U5V ATP 0.007356 0.46755 5.12821
142 3B9Z CO2 0.0000346 0.53219 5.15464
143 1V1A KDG 0.001344 0.40664 5.17799
144 3PD6 PMP 0.002054 0.4138 5.23691
145 3PDB PMP 0.002085 0.40444 5.23691
146 4B9E FAH 0.03451 0.40021 5.31561
147 3W8S GSH 0.004428 0.43019 5.33981
148 2CE7 ADP 0.0004965 0.44181 5.34521
149 2FGQ MLT 0.002372 0.44853 5.42169
150 1C3M MAN MAN 0.00004344 0.48171 5.44218
151 1FNZ A2G 0.000112 0.43588 5.48523
152 3I8T LBT 0.00005505 0.50583 5.4878
153 1H8P PC 0.004411 0.45768 5.50459
154 1Q3P GLU ALA GLN THR ARG LEU 0.003479 0.42386 5.50459
155 4G1V FAD 0.001721 0.4438 5.51378
156 2BO4 FLC 0.02515 0.4068 5.54156
157 4ODV GP1 Z9M 0.003002 0.48579 5.5814
158 4N69 SER 0.01805 0.40085 5.59441
159 1S8F GDP 0.004445 0.40589 5.64972
160 2QS8 MET 0.00007201 0.41293 5.74163
161 4W6Z ETF 0.01961 0.42438 5.76369
162 4N7U 2JA 0.0364 0.41047 5.78947
163 4A6F SEP 0.01233 0.44252 5.83333
164 1ZUW DGL 0.01053 0.40397 5.88235
165 2BLE 5GP 0.0001379 0.46473 5.99455
166 3SUC ATP 0.001206 0.41389 6.01336
167 1UGX GAL MGC 0.00003385 0.42049 6.01504
168 2YD6 FLC 0.01803 0.45655 6.13208
169 4JEJ 1GP 0.007539 0.40121 6.14754
170 3VOZ 04A 0.0003399 0.4379 6.34921
171 3B8I OXL 0.02748 0.42376 6.62021
172 1QO0 BMD 0.01516 0.41171 6.63265
173 4U36 TNR 0.00008974 0.43039 6.66667
174 3SHR CMP 0.005831 0.40993 6.68896
175 3CEV ARG 0.01276 0.4005 6.68896
176 1AX2 NDG GAL 0.01172 0.40662 6.69456
177 1FX8 BOG 0.001602 0.41387 6.76157
178 3S9K CIT 0.01702 0.44417 6.77966
179 3SQG COM 0.0284 0.423 6.81004
180 2BGM MAX 0.0006259 0.40457 6.83453
181 1GPJ CIT 0.02408 0.40246 6.93069
182 2X61 CH 0.00003497 0.40001 6.97674
183 2YLD CMO 0.01023 0.41954 7.08661
184 3WCS MAN NAG 0.006773 0.4168 7.08661
185 2X0K PPV 0.002818 0.43589 7.10059
186 1NXJ GLV 0.0001656 0.47842 7.10383
187 1NXJ TLA 0.0002166 0.44741 7.10383
188 2ZO9 MLI 0.0006926 0.4442 7.29927
189 1NPL MAN 0.00005611 0.52262 7.33945
190 1NPL MAN MAN 0.03329 0.40644 7.33945
191 3RF4 FUN 0.008276 0.41308 7.75862
192 4M7F BM3 0.0007472 0.4576 7.9646
193 1UQX MMA 0.0003163 0.41364 7.9646
194 1NML CIT 0.002203 0.4376 7.97546
195 2E1A MSE 0.006121 0.41372 8
196 1ULE GLA GAL NAG 0.03896 0.40302 8
197 2O66 FLC 0.00302 0.43752 8.14815
198 3VCA PRO 0.0004147 0.47193 8.24053
199 1B74 DGN 0.02483 0.41278 8.26772
200 1JOT GAL A2G 0.0004425 0.45476 8.27068
201 4HGP KDO 0.0009364 0.41391 8.33333
202 3IJH KO2 0.01806 0.40566 8.40708
203 2OFE NAG 0.02533 0.40145 8.4507
204 2X2T GAL NGA 0.03397 0.41203 8.49673
205 2VMD MBG 0.006469 0.44916 8.56031
206 4M5P MLA 0.002941 0.47588 8.59951
207 3EJ0 11X 0.01472 0.40471 8.67347
208 1JGS SAL 0.03275 0.42732 8.69565
209 2FYF PLP 0.0008385 0.43582 8.79397
210 1G0V NAG 0.0005339 0.55107 8.81459
211 1VJO PLP 0.00008821 0.43985 8.90585
212 2ZE3 AKG 0.002636 0.44013 9.09091
213 2V9M CIT 0.00002528 0.50447 9.1314
214 3IB9 BTN 0.00504 0.4434 9.35412
215 3U7Y FLC 0.01529 0.44959 9.52381
216 4JCA CIT 0.03413 0.41867 9.58084
217 3SJ0 DXC 0.02253 0.40908 9.85915
218 1NME 159 0.00005676 0.47734 10.274
219 1LDM OXM 0.0006278 0.44868 10.3343
220 3ZZS TRP 0.000007094 0.4117 10.7692
221 3CBG 4FE 0.01829 0.43332 10.7759
222 3KJQ B94 0.003557 0.41391 11.5854
223 1UW1 ADP 0.0002628 0.48421 12.5
224 4LO6 SIA GAL 0.0008768 0.48 12.6316
225 4Q3F TLA 0.002424 0.4481 13.6752
226 2HVK TBA 0.0001482 0.50341 13.7097
227 3KPE TM3 0.003089 0.4433 13.7255
228 1FWE HAE 0.0007428 0.45154 14
229 2NCD ADP 0.01016 0.41426 14.0476
230 1NU4 MLA 0.03254 0.41979 15.4639
231 2PNZ 5GP 0.007053 0.41117 15.5235
232 1BTN I3P 0.002737 0.49136 16.0377
233 1SC3 MLI 0.0002063 0.51514 17.4157
234 2FPU HSO 0.01557 0.41673 17.6136
235 2CJH AKG 0.000000001495 0.6041 20.49
236 1UO4 PIH 0.04814 0.41052 23.5294
237 1U3I GSH 0.01855 0.40269 24.1706
238 5DDW 5B6 0.01492 0.41475 25.3898
239 4ZSY RW2 0.01397 0.4161 27.3942
240 4ZM4 PLP 0.00147 0.48211 27.9642
241 4ZM4 P3B 0.007496 0.43181 27.9642
242 4AOA IK2 0.0000000007827 0.60568 30.5122
243 3FQ8 PMP 0.000000001302 0.79652 32.294
244 3BS8 PMP 0.00000000004717 0.69711 33.4076
245 4UOX PLP 0.000000002902 0.62622 34.5212
246 4UOX PUT 0.00000000425 0.58385 34.5212
247 4UOX PLP PUT 0.000000008481 0.55977 34.5212
248 1ZC9 PMP 0.0000000005146 0.58487 38.3372
249 1SFF IK2 0.000000006644 0.5346 40.1408
250 5G09 6DF 0.01265 0.42102 44.098
251 2OAT PFM 0.01371 0.42556 44.4191
252 5WYF ILP 0.008486 0.42926 46.3252
253 4E3Q PMP 0.0000000003613 0.68136 46.9933
254 4ADC PLP 0.02196 0.40182 48.0296
Pocket No.: 2; Query (leader) PDB : 3A8U; Ligand: PLP; Similar sites found: 56
This union binding pocket(no: 2) in the query (biounit: 3a8u.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2I4O ATP 0.0001185 0.43058 1.3363
2 1X54 4AD 0.001275 0.45401 1.38249
3 4R33 TRP 0.02772 0.40474 1.66667
4 4R33 SAH 0.02772 0.40474 1.66667
5 1XHL NDP 0.004697 0.43886 2.0202
6 1Z42 HBA 0.0004435 0.508 2.36686
7 1Z44 NPO 0.0276 0.40615 2.36686
8 3NKS ACJ 0.00005446 0.41522 2.44989
9 1TDF NAP 0.001457 0.4938 2.53165
10 1TDF FAD 0.01973 0.42369 2.53165
11 3MD0 GDP 0.001076 0.4088 2.53521
12 9LDT OXM 0.015 0.41149 2.71084
13 2PTZ PAH 0.00315 0.42351 2.77778
14 3R6K FUC GAL GLA 0.006287 0.40745 2.95082
15 3C1O NAP 0.0134 0.40895 3.42679
16 2G36 TRP 0.002132 0.41433 3.52941
17 1Y7P RIP 0.005138 0.40488 3.58744
18 2VDJ HSE 0.008901 0.40744 3.65448
19 2Q8H TF4 0.01408 0.40523 3.6855
20 2VWT PYR 0.006661 0.40636 3.74532
21 5D63 FUC GLA GLA 0.005178 0.40474 3.75427
22 2XRH NIO 0.003035 0.42116 4
23 1O68 KIV 0.002454 0.40229 4
24 2WGC SIA GAL BGC 0.005191 0.44413 4.09357
25 4F8L GAL 0.03049 0.40387 4.13793
26 1RYI GOA 0.02778 0.41036 4.18848
27 3QDW NDG 0.006075 0.4081 4.1958
28 3QDV A2G 0.01321 0.40655 4.1958
29 3QDV NDG 0.006732 0.40616 4.1958
30 1Y1A GSH 0.02639 0.41392 4.37158
31 1Y4Z PCI 0.0003486 0.42636 4.45434
32 3ZLM ANP 0.003758 0.42444 4.78723
33 1H0C AOA 0.007547 0.40401 4.84694
34 1H9G COA MYR 0.0134 0.4118 4.93827
35 1A5V Y3 0.002246 0.41342 5.06329
36 1NX4 AKG 0.003092 0.40786 5.12821
37 2W1A TSA 0.005863 0.40513 5.55556
38 2AEB ABH 0.01306 0.42033 5.59006
39 1II5 GLU 0.001541 0.41997 6.00858
40 1JAC AMG 0.003618 0.44212 6.01504
41 4EXO PYR 0.004645 0.42022 6.16438
42 3SBZ MLI 0.01597 0.40263 6.34921
43 3DAG FEG 0.007859 0.4207 6.42458
44 4AF5 CIT 0.003708 0.41078 7.36842
45 1IYE PGU 0.01275 0.41792 7.44337
46 3MAG 3MA 0.01538 0.41095 7.49186
47 2BZ1 TAU 0.02765 0.40611 8.67347
48 1Y42 TYR 0.002423 0.40244 8.92857
49 3BY8 MLT 0.002867 0.42223 9.85915
50 2W3L DRO 0.01623 0.4023 10.4167
51 3CBG FER 0.01674 0.40167 10.7759
52 2XBP ATP 0.03243 0.41294 11.5044
53 4FGC PQ0 0.001736 0.4179 12.1212
54 2V5E SCR 0.01954 0.40576 13.8614
55 2DTJ THR 0.0009496 0.40014 17.9775
56 1NP0 NGT 0.003352 0.4126 29.3103
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