Receptor
PDB id Resolution Class Description Source Keywords
1TVW 2.5 Å EC: 2.1.1.45 CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYS 229 MUTANTS OF THYMIDYLATE SYNTHASE LACTOBACILLUS CASEI TRANSFERASE METHYLTRANSFERASE
Ref.: CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING T CATALYSIS IN ASN229 MUTANTS OF THYMIDYLATE SYNTHASE J.MOL.BIOL. V. 276 113 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CB3 A:318;
Valid;
none;
submit data
477.469 C24 H23 N5 O6 C#CCN...
UMP A:317;
Valid;
none;
submit data
308.182 C9 H13 N2 O8 P C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2G86 2.4 Å EC: 2.1.1.45 L. CASEI THYMIDYLATE SYNTHASE Y261F IN COMPLEX WITH SUBSTRAT LACTOBACILLUS CASEI DUMP-BINDING RESIDUE DUMP COMPLEX THYMIDYLATE SYNTHASE MUTTRANSFERASE
Ref.: THE ROLE OF PROTEIN DYNAMICS IN THYMIDYLATE SYNTHAS CATALYSIS: VARIANTS OF CONSERVED 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)-BINDING TYR-261 BIOCHEMISTRY V. 45 7415 2006
Members (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 1LCA - UMP C9 H13 N2 O8 P C1[C@@H]([....
2 1VZC - UFP C9 H12 F N2 O8 P C1[C@@H]([....
3 1LCB - TMP C10 H15 N2 O8 P CC1=CN(C(=....
4 1BO7 - U C9 H13 N2 O9 P O=C1N(C2OC....
5 2G8A - UMP C9 H13 N2 O8 P C1[C@@H]([....
6 1JMI Kd = 0.87 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
7 1VZE - CB3 C24 H23 N5 O6 C#CCN(Cc1c....
8 1BO8 - U C9 H13 N2 O9 P O=C1N(C2OC....
9 1BPJ - UMP C9 H13 N2 O8 P C1[C@@H]([....
10 1VZA - UMP C9 H13 N2 O8 P C1[C@@H]([....
11 1NJE Kd = 160 uM DCM C9 H14 N3 O7 P C1[C@@H]([....
12 1JMH - UMP C9 H13 N2 O8 P C1[C@@H]([....
13 1TSL Ki = 0.7 uM A15 C24 H14 Cl2 O4 c1cc2cccc3....
14 2G86 Kd = 0.44 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
15 1VZD - UFP C9 H12 F N2 O8 P C1[C@@H]([....
16 1NJD Kd = 2.7 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
17 1BP6 - UMP C9 H13 N2 O8 P C1[C@@H]([....
18 1TVV - UMP C9 H13 N2 O8 P C1[C@@H]([....
19 1TVU - UMP C9 H13 N2 O8 P C1[C@@H]([....
20 1NJC Kd = 2.8 uM DCM C9 H14 N3 O7 P C1[C@@H]([....
21 1LCE - UMP C9 H13 N2 O8 P C1[C@@H]([....
22 1TSY Kd = 11 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
23 1BP0 Kd = 4 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
24 1NJA Kd = 0.49 uM DCM C9 H14 N3 O7 P C1[C@@H]([....
25 1VZB - UMP C9 H13 N2 O8 P C1[C@@H]([....
26 2G89 - UMP C9 H13 N2 O8 P C1[C@@H]([....
27 1TSX - UMP C9 H13 N2 O8 P C1[C@@H]([....
28 1JMF Kd = 1.7 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
29 1JMG Kd = 0.85 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
30 1TVW - UMP C9 H13 N2 O8 P C1[C@@H]([....
31 2G8D - UMP C9 H13 N2 O8 P C1[C@@H]([....
70% Homology Family (32)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 1LCA - UMP C9 H13 N2 O8 P C1[C@@H]([....
2 1VZC - UFP C9 H12 F N2 O8 P C1[C@@H]([....
3 1LCB - TMP C10 H15 N2 O8 P CC1=CN(C(=....
4 1BO7 - U C9 H13 N2 O9 P O=C1N(C2OC....
5 2G8A - UMP C9 H13 N2 O8 P C1[C@@H]([....
6 1JMI Kd = 0.87 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
7 1VZE - CB3 C24 H23 N5 O6 C#CCN(Cc1c....
8 1BO8 - U C9 H13 N2 O9 P O=C1N(C2OC....
9 1BPJ - UMP C9 H13 N2 O8 P C1[C@@H]([....
10 1VZA - UMP C9 H13 N2 O8 P C1[C@@H]([....
11 1NJE Kd = 160 uM DCM C9 H14 N3 O7 P C1[C@@H]([....
12 1JMH - UMP C9 H13 N2 O8 P C1[C@@H]([....
13 1TSL Ki = 0.7 uM A15 C24 H14 Cl2 O4 c1cc2cccc3....
14 2G86 Kd = 0.44 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
15 1VZD - UFP C9 H12 F N2 O8 P C1[C@@H]([....
16 1NJD Kd = 2.7 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
17 1BP6 - UMP C9 H13 N2 O8 P C1[C@@H]([....
18 1TVV - UMP C9 H13 N2 O8 P C1[C@@H]([....
19 1TVU - UMP C9 H13 N2 O8 P C1[C@@H]([....
20 1NJC Kd = 2.8 uM DCM C9 H14 N3 O7 P C1[C@@H]([....
21 1LCE - UMP C9 H13 N2 O8 P C1[C@@H]([....
22 1TSY Kd = 11 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
23 1BP0 Kd = 4 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
24 1NJA Kd = 0.49 uM DCM C9 H14 N3 O7 P C1[C@@H]([....
25 1VZB - UMP C9 H13 N2 O8 P C1[C@@H]([....
26 2G89 - UMP C9 H13 N2 O8 P C1[C@@H]([....
27 1TSX - UMP C9 H13 N2 O8 P C1[C@@H]([....
28 1JMF Kd = 1.7 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
29 1JMG Kd = 0.85 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
30 1TVW - UMP C9 H13 N2 O8 P C1[C@@H]([....
31 2G8D - UMP C9 H13 N2 O8 P C1[C@@H]([....
32 5J7W Ki = 13 uM MTX C20 H22 N8 O5 CN(Cc1cnc2....
50% Homology Family (55)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4E28 Ki = 1.3 uM 0MZ C19 H15 F3 N4 O3 S c1ccc(c(c1....
2 1LCA - UMP C9 H13 N2 O8 P C1[C@@H]([....
3 1VZC - UFP C9 H12 F N2 O8 P C1[C@@H]([....
4 1LCB - TMP C10 H15 N2 O8 P CC1=CN(C(=....
5 1BO7 - U C9 H13 N2 O9 P O=C1N(C2OC....
6 2G8A - UMP C9 H13 N2 O8 P C1[C@@H]([....
7 1JMI Kd = 0.87 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
8 1VZE - CB3 C24 H23 N5 O6 C#CCN(Cc1c....
9 1BO8 - U C9 H13 N2 O9 P O=C1N(C2OC....
10 1BPJ - UMP C9 H13 N2 O8 P C1[C@@H]([....
11 1VZA - UMP C9 H13 N2 O8 P C1[C@@H]([....
12 1NJE Kd = 160 uM DCM C9 H14 N3 O7 P C1[C@@H]([....
13 1JMH - UMP C9 H13 N2 O8 P C1[C@@H]([....
14 1TSL Ki = 0.7 uM A15 C24 H14 Cl2 O4 c1cc2cccc3....
15 2G86 Kd = 0.44 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
16 1VZD - UFP C9 H12 F N2 O8 P C1[C@@H]([....
17 1NJD Kd = 2.7 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
18 1BP6 - UMP C9 H13 N2 O8 P C1[C@@H]([....
19 1TVV - UMP C9 H13 N2 O8 P C1[C@@H]([....
20 1TVU - UMP C9 H13 N2 O8 P C1[C@@H]([....
21 1NJC Kd = 2.8 uM DCM C9 H14 N3 O7 P C1[C@@H]([....
22 1LCE - UMP C9 H13 N2 O8 P C1[C@@H]([....
23 1TSY Kd = 11 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
24 1BP0 Kd = 4 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
25 1NJA Kd = 0.49 uM DCM C9 H14 N3 O7 P C1[C@@H]([....
26 1VZB - UMP C9 H13 N2 O8 P C1[C@@H]([....
27 2G89 - UMP C9 H13 N2 O8 P C1[C@@H]([....
28 1TSX - UMP C9 H13 N2 O8 P C1[C@@H]([....
29 1JMF Kd = 1.7 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
30 1JMG Kd = 0.85 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
31 1TVW - UMP C9 H13 N2 O8 P C1[C@@H]([....
32 2G8D - UMP C9 H13 N2 O8 P C1[C@@H]([....
33 5X66 Kd = 1.19 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
34 1I00 Kd = 0.46 uM D16 C21 H22 N4 O6 S CC1=NC(=O)....
35 1HVY - D16 C21 H22 N4 O6 S CC1=NC(=O)....
36 5X67 Kd = 1.19 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
37 5X5D Kd = 1.19 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
38 1BJG - TMF C20 H21 N7 O6 c1cc(ccc1C....
39 2VET - UMP C9 H13 N2 O8 P C1[C@@H]([....
40 2FTO - TMP C10 H15 N2 O8 P CC1=CN(C(=....
41 1TYS Kd = 3.27 uM DHF C19 H21 N7 O6 c1cc(ccc1C....
42 2BBQ - PFG C39 H44 N8 O15 C#CC[N@](C....
43 1BID - UMP C9 H13 N2 O8 P C1[C@@H]([....
44 4LRR Ki = 6 uM CF9 C18 H9 N O6 c1cc2c(ccc....
45 1AOB - DDU C9 H12 N2 O4 C[C@@H]1[C....
46 1F4E Ki = 1.1 mM TPR C12 H15 N O4 S Cc1ccc(cc1....
47 1BDU - DUR C9 H12 N2 O5 C1[C@@H]([....
48 1TRG - CB3 C24 H23 N5 O6 C#CCN(Cc1c....
49 2TSC - CB3 C24 H23 N5 O6 C#CCN(Cc1c....
50 2KCE Ki = 0.67 uM D16 C21 H22 N4 O6 S CC1=NC(=O)....
51 5J7W Ki = 13 uM MTX C20 H22 N8 O5 CN(Cc1cnc2....
52 5H39 - UMP C9 H13 N2 O8 P C1[C@@H]([....
53 5H3A - D16 C21 H22 N4 O6 S CC1=NC(=O)....
54 1F28 Ki = 16 nM F89 C27 H24 N4 O6 CC1=Nc2ccc....
55 2AAZ - UMP C9 H13 N2 O8 P C1[C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CB3; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 CB3 1 1
2 PFG 0.902174 0.96875
3 DZF 0.459459 0.861538
4 NHS 0.445455 0.870968
5 3YA 0.433628 0.771429
6 3Y9 0.428571 0.782609
7 D16 0.422414 0.753425
8 9L9 0.419048 0.742857
9 83A 0.417391 0.811594
10 THF 0.40678 0.783784
11 1JY 0.406015 0.811594
12 21V 0.405172 0.739726
13 DDF 0.405172 0.739726
14 DHF 0.403509 0.785714
15 LYA 0.401786 0.794118
16 1YA 0.4 0.828571
Ligand no: 2; Ligand: UMP; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 UMP 1 1
2 DU 1 1
3 DUD 0.8 0.985075
4 UC5 0.772727 0.970588
5 DUT 0.753623 0.985075
6 DUN 0.75 0.956522
7 DUP 0.742857 0.956522
8 DUS 0.692308 0.853333
9 DUT MG 0.684932 0.914286
10 DUR 0.683333 0.852941
11 UMP AF3 PO4 0.675676 0.876712
12 DDN 0.632353 1
13 UFP 0.591549 0.929577
14 BRU 0.583333 0.929577
15 5HU 0.583333 0.942857
16 TMP 0.583333 0.956522
17 UM3 0.57971 0.955224
18 5IU 0.575342 0.929577
19 DCM 0.561644 0.928571
20 DC 0.561644 0.928571
21 BVP 0.531646 0.942857
22 DU DU DU DU BRU DU DU 0.53125 0.864865
23 U5P 0.527778 0.911765
24 DDU 0.523077 0.753623
25 UMC 0.520548 0.941176
26 QBT 0.493333 0.927536
27 DUA 0.487805 0.783784
28 DU3 0.487805 0.780822
29 DU4 0.47619 0.76
30 TYD 0.469136 0.942857
31 YYY 0.451219 0.915493
32 UDP 0.45 0.898551
33 TTP 0.447059 0.942857
34 8OG 0.435294 0.835443
35 UA3 0.434211 0.897059
36 U3P 0.434211 0.897059
37 U2P 0.434211 0.884058
38 UTP 0.433735 0.898551
39 44P 0.43038 0.914286
40 DCP 0.430233 0.915493
41 DUX 0.411765 0.756757
42 2KH 0.411765 0.873239
43 UMF 0.410256 0.84507
44 139 0.409091 0.8
45 UPU 0.409091 0.871429
46 U 0.408451 0.771429
47 URI 0.408451 0.771429
48 TBD 0.406977 0.90411
49 PUA 0.405172 0.833333
50 UNP 0.402299 0.873239
51 UDX 0.4 0.873239
52 UAD 0.4 0.873239
53 PUP 0.4 0.955882
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2G86; Ligand: UMP; Similar sites found: 286
This union binding pocket(no: 1) in the query (biounit: 2g86.bio1) has 49 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.008761 0.48473 None
2 1UO4 PIH 0.00867 0.47581 None
3 4F4S EFO 0.006212 0.444 None
4 3G1Z AMP 0.03797 0.41401 0.949367
5 2HFK E4H 0.004832 0.44906 1.26582
6 3PMA SCR 0.01077 0.42335 1.5444
7 3MD0 GDP 0.0101 0.42954 1.58228
8 3GTD MLI 0.02665 0.41896 1.58228
9 2JBH 5GP 0.001166 0.4717 1.77778
10 4URN NOV 0.006593 0.46423 1.77778
11 2D2I NAP 0.005119 0.40253 1.84211
12 2CFA FAD 0.005283 0.4079 1.84332
13 4M5P 23W 0.00136 0.50294 1.89873
14 4M5P MLA 0.0074 0.47975 1.89873
15 1Z4V DAN 0.01234 0.41737 1.89873
16 2RCN GDP 0.01622 0.41614 1.89873
17 1OYB HBA 0.002334 0.40831 1.89873
18 1E5F PLP 0.01474 0.40691 1.89873
19 2QCX PF1 0.01269 0.43445 1.90114
20 4B9E FAH 0.002473 0.48167 1.99336
21 4EXO PYR 0.03539 0.42792 2.05479
22 3B20 NAD 0.003655 0.40467 2.0649
23 2R5T ANP 0.005698 0.4098 2.14477
24 1XIU REA 0.001316 0.44499 2.17391
25 1O9U ADZ 0.005151 0.48013 2.21519
26 1Z44 NPO 0.01888 0.46471 2.21519
27 1TV5 N8E 0.003809 0.42311 2.21519
28 2Q09 DI6 0.01431 0.42271 2.21519
29 1Z48 FMN 0.007652 0.41845 2.21519
30 1Z41 FMN 0.007917 0.41786 2.21519
31 1Z44 FMN 0.01068 0.41621 2.21519
32 4WB7 ATP 0.01951 0.40706 2.21519
33 3SHR CMP 0.001547 0.46081 2.34114
34 1A27 EST 0.005197 0.42525 2.42215
35 2GSQ GBI 0.00633 0.40508 2.47525
36 1JN2 SFP 0.0005267 0.56915 2.53165
37 4IHQ ADP 0.008865 0.4321 2.53165
38 1Y42 TYR 0.01137 0.43181 2.53165
39 1YQT ADP 0.03441 0.426 2.53165
40 3TFC PEP 0.01908 0.42134 2.53165
41 4OKD GLC GLC GLC 0.0466 0.41873 2.53165
42 4KBF AMP 0.04771 0.41215 2.53165
43 4L7I SAM 0.009899 0.41045 2.53165
44 1Q7E MET 0.003123 0.40415 2.53165
45 3VTF UPG 0.01093 0.40238 2.53165
46 1NYT NAP 0.002497 0.41023 2.58303
47 1Y9Q MED 0.02906 0.42183 2.60417
48 4PTZ FMN 0.008165 0.41376 2.6178
49 3ZF8 GDP 0.01452 0.41826 2.62295
50 3KMZ EQO 0.003758 0.40151 2.63158
51 2BOI MFU 0.0285 0.41319 2.65487
52 4M7F BM3 0.03299 0.41021 2.65487
53 3V91 UPG 0.0004439 0.44644 2.74914
54 1FW1 GSH 0.01928 0.40553 2.77778
55 2D2F ADP 0.043 0.40067 2.8
56 3IPQ 965 0.0008077 0.4144 2.82686
57 1Q11 TYE 0.003327 0.45656 2.8481
58 1TFZ 869 0.002052 0.42967 2.8481
59 3S7O LBV 0.0002512 0.42692 2.8481
60 3CQ5 PMP 0.01576 0.42082 2.8481
61 1KYQ NAD 0.003421 0.42491 2.91971
62 3NOJ PYR 0.03503 0.41106 2.94118
63 2CJE DUN 0.007765 0.40797 2.98507
64 2EB5 OXL 0.005989 0.45583 2.99625
65 2PR5 FMN 0.01406 0.40127 3.0303
66 3BP1 GUN 0.01942 0.42426 3.10345
67 3R51 MMA 0.001207 0.51468 3.125
68 2QV7 ADP 0.0007654 0.45882 3.16456
69 3S6X SIA GAL BGC 0.04694 0.41735 3.16456
70 2O2C G6Q 0.009665 0.41435 3.16456
71 1O0S NAI 0.004314 0.40801 3.16456
72 3I8P 840 0.01576 0.40573 3.16456
73 4L1F COS 0.005325 0.4048 3.16456
74 1ZJ6 G3D 0.0145 0.41438 3.20856
75 2Y7P SAL 0.0136 0.4282 3.21101
76 2BVE PH5 0.03649 0.42112 3.36134
77 3RK0 AMP 0.01366 0.41548 3.37553
78 2W3L DRO 0.01963 0.44813 3.47222
79 1SJW NGV 0.005961 0.42284 3.47222
80 1PEA ACM 0.01271 0.45165 3.48101
81 2NCD ADP 0.005601 0.45146 3.48101
82 1QO0 BMD 0.00911 0.44683 3.48101
83 1YHM AHD 0.009332 0.44085 3.48101
84 2C5S AMP 0.005674 0.44082 3.48101
85 3ZPG 5GP 0.03729 0.43265 3.48101
86 3DER ALA LYS 0.003081 0.4196 3.48101
87 2BII MTV 0.003138 0.41286 3.48101
88 2Z9C FMN 0.00599 0.4122 3.5
89 1WRA PC 0.005555 0.46376 3.57143
90 3FIU POP 0.01822 0.44463 3.61446
91 2O66 FLC 0.006668 0.44784 3.7037
92 4K30 NLG 0.02578 0.41524 3.75
93 4JP3 CIT 0.008948 0.42333 3.76569
94 1PZM 5GP 0.03695 0.4183 3.79147
95 2ZYF AKG 0.006281 0.43884 3.79747
96 1T10 F6P 0.01081 0.4378 3.79747
97 1I0Z OXM 0.03551 0.43384 3.79747
98 3DG6 MUC 0.006068 0.42641 3.79747
99 3HAZ NAD 0.0007783 0.41489 3.79747
100 2Q28 ADP 0.005882 0.4125 3.79747
101 1CKM GTP 0.009848 0.40408 3.79747
102 2BH9 NAP 0.02176 0.40003 3.79747
103 1XX4 BAM 0.02165 0.421 3.83142
104 3B6C SDN 0.005579 0.46827 3.84615
105 4COQ SAN 0.02822 0.42247 4.04858
106 3I51 45C 0.01146 0.41875 4.07407
107 2Q1A 2KT 0.01485 0.43633 4.09556
108 4M51 BEZ 0.004696 0.47453 4.11392
109 2Z9V PXM 0.003964 0.45304 4.11392
110 1K6M AGS 0.0008066 0.43715 4.11392
111 3O2K QRP 0.01147 0.42276 4.11392
112 3O2K DST 0.02226 0.41821 4.11392
113 4OB6 S2T 0.01088 0.41226 4.11392
114 1RZM PEP 0.03346 0.40992 4.11392
115 1KYZ FER 0.001823 0.40895 4.11392
116 2WMO GTP 0.008229 0.42092 4.21053
117 2OFE NAG 0.002108 0.47818 4.22535
118 4E13 NAD 0.006739 0.40712 4.24028
119 2WK1 SAH 0.00439 0.41396 4.25532
120 3LTW HLZ 0.004093 0.46398 4.28571
121 3BHO B4P 0.03645 0.4158 4.32692
122 2QQ0 TMP 0.001725 0.40161 4.34783
123 2QQ0 ADP 0.001725 0.40161 4.34783
124 2QQ0 ANP 0.001905 0.40031 4.34783
125 2B7N NTM 0.006939 0.44701 4.3956
126 4KCT PYR 0.002398 0.45765 4.43038
127 3SIX GDP 0.003825 0.43905 4.43038
128 1QS8 IVA VAL VAL STA ALA STA 0.00335 0.42526 4.43038
129 4KCT FDP 0.008436 0.42442 4.43038
130 1B7Y FYA 0.001242 0.4204 4.43038
131 3DNT ATP 0.00442 0.40764 4.43038
132 4J7H TLO 0.01072 0.40582 4.43038
133 4J7H TRH 0.01067 0.40277 4.43038
134 3E5H GNP 0.002192 0.41516 4.49438
135 3B5J 12D 0.04161 0.41928 4.52675
136 4Q0A 4OA 0.01351 0.40193 4.63576
137 2YLD CMO 0.007355 0.45142 4.72441
138 2ZO9 MLI 0.02751 0.40421 4.74453
139 1E4E ADP 0.0002755 0.46692 4.74684
140 1E4E PHY 0.01394 0.40789 4.74684
141 1UOU CMU 0.01906 0.40574 4.74684
142 1WDA BAG 0.03399 0.40565 4.74684
143 4URG C2E 0.009588 0.45619 4.79042
144 3UEC ALA ARG TPO LYS 0.0008428 0.50548 4.79452
145 1YRX FMN 0.002312 0.44378 4.95868
146 2HNK SAH 0.009524 0.40463 5.02092
147 3GM5 CIT 0.01472 0.43652 5.03145
148 1V6A TRE 0.002528 0.46795 5.06329
149 2F2U M77 0.001401 0.4627 5.06329
150 3QV9 QV7 0.008454 0.44291 5.06329
151 4P4T GDP 0.002035 0.43357 5.06329
152 1F1V DHY 0.01208 0.42603 5.06329
153 2YB9 HA0 0.001392 0.40711 5.06329
154 1MZV AMP 0.001077 0.46768 5.10638
155 1C1L GAL BGC 0.01481 0.44199 5.10949
156 2ORV 4TA 0.004673 0.40389 5.12821
157 1XVA SAM 0.01021 0.40349 5.13699
158 1QDS PGA 0.02462 0.40816 5.17928
159 1SQ5 ADP 0.006499 0.42925 5.19481
160 1SQ5 PAU 0.02539 0.41554 5.19481
161 3MAG 3MA 0.0005944 0.5423 5.21173
162 3MAG SAH 0.003781 0.41971 5.21173
163 1TUV VK3 0.02322 0.44409 5.26316
164 2YGO PCF 0.0004244 0.42611 5.31915
165 1OGD RIP 0.01584 0.42511 5.34351
166 1EYE PMM 0.006262 0.42994 5.35714
167 3BRE C2E 0.03728 0.41642 5.37975
168 1J78 OLA 0.04594 0.40134 5.37975
169 3CF6 SP1 0.006072 0.42252 5.38922
170 4L6C 0BT 0.003073 0.41634 5.44554
171 1N9L FMN 0.006929 0.41312 5.50459
172 1ZZ7 S0H 0.008562 0.43753 5.55556
173 3F8C HT1 0.03169 0.41532 5.55556
174 3BY8 MLT 0.008841 0.45345 5.6338
175 3TKA CTN 0.0003685 0.58567 5.6962
176 2QF7 COA 0.0007968 0.46292 5.6962
177 1C7S CBS 0.006957 0.42799 5.6962
178 3ULK NDP 0.004629 0.40996 5.6962
179 1VE3 SAM 0.001494 0.43873 5.72687
180 2FEQ 34P 0.005869 0.41941 5.79151
181 2A2X NA9 0.006774 0.4135 5.79151
182 1NJR XYL 0.001458 0.41208 5.98592
183 1GJW GLC 0.001606 0.49122 6.01266
184 3GJB AKG 0.001996 0.46123 6.01266
185 3I0O SMI 0.005359 0.45237 6.01266
186 1GJW MAL 0.01284 0.42061 6.01266
187 3QP4 HL0 0.005867 0.42312 6.04396
188 1EWY FAD 0.03201 0.41122 6.12245
189 3DKP ADP 0.04992 0.40757 6.12245
190 2FR6 CTN 0.005829 0.41601 6.16438
191 2FR6 URI 0.01093 0.40549 6.16438
192 1S8F GDP 0.01211 0.41395 6.21469
193 1H0C AOA 0.01356 0.44395 6.32911
194 2GWD GLU 0.01436 0.42264 6.32911
195 3P3N AKG 0.03431 0.41822 6.32911
196 1E1O LYS 0.003331 0.40603 6.32911
197 2WA4 069 0.02653 0.40312 6.32911
198 4JWX 1N4 0.0125 0.42989 6.42857
199 2IYG FMN 0.01588 0.41269 6.45161
200 2QLX RM4 0.0116 0.44743 6.48148
201 2Q37 3AL 0.008465 0.44288 6.64557
202 4M37 SAH 0.0018 0.4318 6.64557
203 4PNI KQQ 0.002575 0.41276 6.64557
204 4F8L GAL 0.02981 0.45275 6.89655
205 3D2Y AH0 ALA FGA LYS 0.007619 0.41153 6.89655
206 5RHN 8BR 0.01254 0.40976 6.95652
207 2ZJ5 ADP 0.0007957 0.49189 6.96203
208 2IZ1 ATR 0.01531 0.43568 6.96203
209 2CFU 1DB 0.001866 0.42758 6.96203
210 2F59 INI 0.005535 0.41687 7.00637
211 2WGC SIA GAL BGC 0.01062 0.47973 7.01754
212 1Y1A GSH 0.005863 0.49373 7.10383
213 1SS4 GSH 0.0003083 0.57784 7.18954
214 1SS4 CIT 0.01486 0.45752 7.18954
215 2JFV FLC 0.001414 0.48672 7.2165
216 2ZWS PLM 0.0005453 0.50359 7.27848
217 3P7I P7I 0.005831 0.44527 7.27848
218 2VEZ ACO 0.002591 0.40137 7.36842
219 1G8S MET 0.01525 0.43575 7.3913
220 3KMT SAH 0.008214 0.42095 7.56302
221 4RJK PYR 0.004 0.47821 7.59494
222 1L8N GCW 0.004703 0.40669 7.59494
223 1S14 NOV 0.04472 0.4175 7.73196
224 3JUC PCA 0.04049 0.42204 7.84314
225 1P1M MET 0.002478 0.41969 7.91139
226 2OAT PFM 0.005846 0.41948 7.91139
227 2PTR 2SA 0.003216 0.40373 7.91139
228 2V5E SCR 0.009936 0.47242 7.92079
229 1GU3 BGC BGC BGC BGC BGC 0.01746 0.42314 8.05369
230 1Y7P RIP 0.04576 0.42192 8.07175
231 2C2A ADP 0.01163 0.40769 8.13953
232 1U5R ATP 0.004778 0.42672 8.22785
233 3A1I UNU 0.01595 0.41647 8.22785
234 1NU4 MLA 0.01552 0.42111 8.24742
235 1ECM TSA 0.002085 0.46037 8.25688
236 4IXW IXW 0.02421 0.41236 8.26772
237 1EJE FMN 0.0008267 0.4486 8.33333
238 4G4S LDZ 0.009925 0.41041 8.33333
239 3QDY A2G GAL 0.0008305 0.51424 8.39161
240 3QDT A2G GAL 0.00148 0.50101 8.39161
241 3QDY CBS 0.003134 0.47643 8.39161
242 1H8G CHT 0.002999 0.51256 8.42105
243 1A8S PPI 0.03344 0.4005 8.42491
244 3SJ0 DXC 0.03662 0.42173 8.4507
245 2YDW WSH 0.001552 0.46076 8.49673
246 4DYO SD4 0.03883 0.40301 8.5443
247 1V7R CIT 0.005267 0.4882 8.60215
248 2NVK NAP 0.001427 0.47358 8.86076
249 4QED NAP 0.0004856 0.42122 8.87097
250 3U1T MLI 0.015 0.4417 9.06149
251 1SC3 MLI 0.0006158 0.5211 9.09091
252 1SJD NPG 0.005554 0.40131 9.17722
253 1BTN I3P 0.0006081 0.55944 9.43396
254 1TH8 ADP 0.003209 0.44697 9.48276
255 1KTC NGA 0.01598 0.42494 9.49367
256 4LN7 1ZQ 0.001867 0.43901 9.56938
257 4N7C AEF 0.009045 0.45294 9.65909
258 4WVH ASP HIS ASP ALA HIS ALA 0.002496 0.45686 9.81013
259 4C6F DOR 0.03234 0.40292 9.81013
260 4C6F NCD 0.03234 0.40292 9.81013
261 4M4Q 21A 0.002624 0.41248 9.95851
262 2FOI JPA 0.005023 0.43847 10
263 2UX9 COA 0.01512 0.40317 10.1449
264 1YOA FMN 0.005393 0.49734 10.6918
265 1YOA FAD 0.005169 0.40824 10.6918
266 1NHZ 486 0.002298 0.42086 11.0714
267 3IWD M2T 0.03736 0.42171 11.2903
268 3KJQ B94 0.01013 0.42103 11.5854
269 3S9K CIT 0.02072 0.46223 11.8644
270 1PX8 XYP 0.02863 0.41745 12.3418
271 3NFZ 3NF 0.01966 0.40872 12.3418
272 2XDQ MGX 0.02199 0.44541 13.2911
273 3CH5 GDP 0.007399 0.42685 13.4615
274 4DN8 BMA 0.03912 0.41536 13.4615
275 1Y75 NAG 0.01703 0.41929 13.5593
276 1ULE GLA GAL NAG 0.009933 0.45732 14
277 3RF4 FUN 0.03587 0.4085 14.6552
278 1HYE NAP 0.002901 0.41405 15.016
279 1T0S BML 0.01472 0.44825 15.1163
280 4JCA CIT 0.002074 0.51132 16.1677
281 3F81 STT 0.005118 0.48028 17.4863
282 3A2Y TS5 0.008579 0.41291 17.7665
283 1Y2W NAG 0.02185 0.428 19.7183
284 1B5E DCM 0.03114 0.40738 21.5447
285 2E1A MSE 0.003651 0.44944 22.6667
286 2FYU FDN 0.002781 0.42836 33.3333
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