Receptor
PDB id Resolution Class Description Source Keywords
3gwu 2.14 Å NON-ENZYME: TRANSPORT LEUCINE TRANSPORTER LEUT IN COMPLEX WITH SERTRALINE AQUIFEX AEOLICUS NEUROTRANSMITTER TRANSMEMBRANE TRANSPORT INTEGRAL MEMBRANEANTIDEPRESSANT NSS TRANSPORT PROTEIN SYMPORT TRANSMEMBRTRANSPORT
Ref.: ANTIDEPRESSANT SPECIFICITY OF SEROTONIN TRANSPORTER SUGGESTED BY THREE LEUT-SSRI STRUCTURES. NAT.STRUCT.MOL.BIOL. V. 16 652 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LEU A:601;
Valid;
none;
submit data
131.173 C6 H13 N O2 CC(C)...
NA A:751;
A:752;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
SRE A:801;
Valid;
none;
ic50 = 19.7 uM
306.23 C17 H17 Cl2 N CN[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3F3E 1.8 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF LEUT BOUND TO L-LEUCINE (30 MM) AND SODIUM AQUIFEX AEOLICUS SLC6 NSS TRANSMEMBRANE SODIUM-COUPLED TRANSPORTER SYMPORT TRANSPORT TRANSPORT PROTEIN
Ref.: A COMPETITIVE INHIBITOR TRAPS LEUT IN AN OPEN-TO-OUT CONFORMATION. SCIENCE V. 322 1655 2008
Members (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 3GJD - BOG C14 H28 O6 CCCCCCCCO[....
2 4MMB - SRE C17 H17 Cl2 N CN[C@H]1CC....
3 3MPQ - LEU C6 H13 N O2 CC(C)C[C@@....
4 3F3A Ki = 64800 nM TRP C11 H12 N2 O2 c1ccc2c(c1....
5 3F3E Ki = 16 nM LEU C6 H13 N O2 CC(C)C[C@@....
6 2Q72 ic50 = 2090 uM IXX C19 H24 N2 CN(C)CCCN1....
7 2A65 - LEU C6 H13 N O2 CC(C)C[C@@....
8 4MME Kd = 318 nM 29Q C16 H13 Cl N2 O c1ccc2c(c1....
9 3F3C Ki = 950 nM PFF C9 H10 F N O2 c1cc(ccc1C....
10 3USG - LEU C6 H13 N O2 CC(C)C[C@@....
11 3USP - LEU C6 H13 N O2 CC(C)C[C@@....
12 3GWU ic50 = 19.7 uM SRE C17 H17 Cl2 N CN[C@H]1CC....
13 2QEI ic50 ~ 5 uM CXX C19 H23 Cl N2 CN(C)CCCN1....
14 3F4I - MSE C5 H11 N O2 Se C[Se]CC[C@....
15 3GWW ic50 = 355 mM SFX C17 H18 F3 N O CNCC[C@@H]....
16 3F3D Ki = 232 nM MET C5 H11 N O2 S CSCC[C@@H]....
17 3F4J Ki = 322000 nM GLY C2 H5 N O2 C(C(=O)O)N
18 2QB4 - DSM C18 H22 N2 CNCCCN1c2c....
19 3MPN - LEU C6 H13 N O2 CC(C)C[C@@....
20 2Q6H ic50 = 250 uM CXX C19 H23 Cl N2 CN(C)CCCN1....
21 3F48 Ki = 3320 nM ALA C3 H7 N O2 C[C@@H](C(....
22 4MMD - 29E C18 H19 N O S CNCC[C@@H]....
23 3GWV ic50 = 2.54 mM RFX C17 H18 F3 N O CNCC[C@H](....
24 4MMC - 29J C16 H25 N O2 CN(C)C[C@@....
70% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 3GJD - BOG C14 H28 O6 CCCCCCCCO[....
2 4MMB - SRE C17 H17 Cl2 N CN[C@H]1CC....
3 3MPQ - LEU C6 H13 N O2 CC(C)C[C@@....
4 3F3A Ki = 64800 nM TRP C11 H12 N2 O2 c1ccc2c(c1....
5 3F3E Ki = 16 nM LEU C6 H13 N O2 CC(C)C[C@@....
6 2Q72 ic50 = 2090 uM IXX C19 H24 N2 CN(C)CCCN1....
7 2A65 - LEU C6 H13 N O2 CC(C)C[C@@....
8 4MME Kd = 318 nM 29Q C16 H13 Cl N2 O c1ccc2c(c1....
9 3F3C Ki = 950 nM PFF C9 H10 F N O2 c1cc(ccc1C....
10 3USG - LEU C6 H13 N O2 CC(C)C[C@@....
11 3USP - LEU C6 H13 N O2 CC(C)C[C@@....
12 3GWU ic50 = 19.7 uM SRE C17 H17 Cl2 N CN[C@H]1CC....
13 2QEI ic50 ~ 5 uM CXX C19 H23 Cl N2 CN(C)CCCN1....
14 3F4I - MSE C5 H11 N O2 Se C[Se]CC[C@....
15 3GWW ic50 = 355 mM SFX C17 H18 F3 N O CNCC[C@@H]....
16 3F3D Ki = 232 nM MET C5 H11 N O2 S CSCC[C@@H]....
17 3F4J Ki = 322000 nM GLY C2 H5 N O2 C(C(=O)O)N
18 2QB4 - DSM C18 H22 N2 CNCCCN1c2c....
19 3MPN - LEU C6 H13 N O2 CC(C)C[C@@....
20 2Q6H ic50 = 250 uM CXX C19 H23 Cl N2 CN(C)CCCN1....
21 3F48 Ki = 3320 nM ALA C3 H7 N O2 C[C@@H](C(....
22 4MMD - 29E C18 H19 N O S CNCC[C@@H]....
23 3GWV ic50 = 2.54 mM RFX C17 H18 F3 N O CNCC[C@H](....
24 4MMC - 29J C16 H25 N O2 CN(C)C[C@@....
50% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 3GJD - BOG C14 H28 O6 CCCCCCCCO[....
2 4MMB - SRE C17 H17 Cl2 N CN[C@H]1CC....
3 3MPQ - LEU C6 H13 N O2 CC(C)C[C@@....
4 3F3A Ki = 64800 nM TRP C11 H12 N2 O2 c1ccc2c(c1....
5 3F3E Ki = 16 nM LEU C6 H13 N O2 CC(C)C[C@@....
6 2Q72 ic50 = 2090 uM IXX C19 H24 N2 CN(C)CCCN1....
7 2A65 - LEU C6 H13 N O2 CC(C)C[C@@....
8 4MME Kd = 318 nM 29Q C16 H13 Cl N2 O c1ccc2c(c1....
9 3F3C Ki = 950 nM PFF C9 H10 F N O2 c1cc(ccc1C....
10 3USG - LEU C6 H13 N O2 CC(C)C[C@@....
11 3USP - LEU C6 H13 N O2 CC(C)C[C@@....
12 3GWU ic50 = 19.7 uM SRE C17 H17 Cl2 N CN[C@H]1CC....
13 2QEI ic50 ~ 5 uM CXX C19 H23 Cl N2 CN(C)CCCN1....
14 3F4I - MSE C5 H11 N O2 Se C[Se]CC[C@....
15 3GWW ic50 = 355 mM SFX C17 H18 F3 N O CNCC[C@@H]....
16 3F3D Ki = 232 nM MET C5 H11 N O2 S CSCC[C@@H]....
17 3F4J Ki = 322000 nM GLY C2 H5 N O2 C(C(=O)O)N
18 2QB4 - DSM C18 H22 N2 CNCCCN1c2c....
19 3MPN - LEU C6 H13 N O2 CC(C)C[C@@....
20 2Q6H ic50 = 250 uM CXX C19 H23 Cl N2 CN(C)CCCN1....
21 3F48 Ki = 3320 nM ALA C3 H7 N O2 C[C@@H](C(....
22 4MMD - 29E C18 H19 N O S CNCC[C@@H]....
23 3GWV ic50 = 2.54 mM RFX C17 H18 F3 N O CNCC[C@H](....
24 4MMC - 29J C16 H25 N O2 CN(C)C[C@@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LEU; Similar ligands found: 31
No: Ligand ECFP6 Tc MDL keys Tc
1 LEU 1 1
2 ABA 0.565217 0.826087
3 DBB 0.565217 0.826087
4 2RA 0.5 0.62069
5 DSN 0.5 0.642857
6 SER 0.5 0.642857
7 ALA 0.5 0.681818
8 DAL 0.5 0.681818
9 NVA 0.481481 0.8
10 C2N 0.48 0.72
11 DCY 0.48 0.692308
12 CYS 0.48 0.692308
13 DAS 0.461538 0.642857
14 ASP 0.461538 0.642857
15 MLE 0.448276 0.84
16 DAB 0.444444 0.6
17 VAL 0.44 0.772727
18 SYM 0.4375 0.730769
19 API 0.428571 0.62069
20 HCS 0.428571 0.642857
21 ILE 0.428571 0.791667
22 AS2 0.428571 0.692308
23 ONL 0.419355 0.689655
24 NLE 0.419355 0.740741
25 CSS 0.413793 0.62069
26 MSE 0.40625 0.645161
27 MED 0.40625 0.666667
28 MET 0.40625 0.666667
29 DGL 0.4 0.642857
30 GLU 0.4 0.642857
31 GGL 0.4 0.642857
Ligand no: 2; Ligand: SRE; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 SRE 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3F3E; Ligand: LEU; Similar sites found: 694
This union binding pocket(no: 1) in the query (biounit: 3f3e.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.001232 0.52433 None
2 1UO4 PIH 0.005645 0.47615 None
3 1LNX URI 0.01496 0.41657 None
4 4IF4 BEF 0.04424 0.40399 None
5 2WPF WPF 0.01421 0.40429 1.0101
6 2WPF FAD 0.0161 0.40083 1.0101
7 1H16 PYR 0.00331 0.47188 1.05402
8 2Q37 3AL 0.001141 0.47308 1.10497
9 4WVH ASP HIS ASP ALA HIS ALA 0.003186 0.4414 1.15607
10 1I2B USQ 0.001187 0.42701 1.23762
11 1I2B UPG 0.001187 0.42701 1.23762
12 1I2B NAD 0.001187 0.42701 1.23762
13 1JQI CAA 0.00001307 0.47717 1.28866
14 2R14 FMN 0.00154 0.40308 1.32626
15 4AMV F6R 0.000334 0.46121 1.34875
16 4EPL JAI 0.0004811 0.45505 1.34875
17 2CFU 1DB 0.001257 0.42259 1.34875
18 2IXB NAD 0.00001196 0.45264 1.35135
19 1TV5 ORO 0.0005775 0.44959 1.3544
20 1TV5 N8E 0.004199 0.41097 1.3544
21 4HA6 PXM 0.0001008 0.52176 1.37795
22 1K6M AGS 0.003451 0.40389 1.38889
23 2BII MTV 0.0002734 0.43772 1.41509
24 1HSJ GLC 0.03047 0.44292 1.43737
25 2C5S AMP 0.000802 0.46744 1.45278
26 3NNF AKG 0.006138 0.44502 1.45349
27 1O68 KIV 0.001817 0.45766 1.45455
28 4M37 SAH 0.003315 0.41119 1.45773
29 2Q8H TF4 0.01472 0.4156 1.4742
30 2WPW ACO 0.02385 0.40513 1.47493
31 1SNY NAP 0.0004816 0.41891 1.49813
32 2PTR 2SA 0.001008 0.40885 1.51515
33 2HJR APR 0.01174 0.40193 1.52439
34 3HB5 E2B 0.001022 0.4151 1.52905
35 1T10 F6P 0.002034 0.46148 1.54143
36 3HAZ FAD 0.00004369 0.43646 1.54143
37 3HAZ NAD 0.0007548 0.40369 1.54143
38 3B96 MYA 0.006658 0.40025 1.54143
39 3L24 GOA 0.004287 0.47399 1.54739
40 2PT9 2MH 0.00002057 0.42021 1.55763
41 1MLD CIT 0.04837 0.4066 1.59236
42 3MAG 3MA 0.001681 0.50544 1.62866
43 3MAG SAH 0.002863 0.41348 1.62866
44 1O0S NAI 0.001394 0.41398 1.65289
45 3MCT 3MC 0.00152 0.46114 1.6835
46 3MCT SAH 0.001018 0.4258 1.6835
47 1A27 EST 0.0004502 0.45617 1.7301
48 3E5P PPI 0.03191 0.44836 1.7341
49 2YIV NBN 0.007704 0.44637 1.7341
50 2YIV YIV 0.01864 0.43324 1.7341
51 1JQN DCO 0.0004717 0.40107 1.7341
52 3H9E NAD 0.001808 0.40089 1.7341
53 2GKL PD2 0.01708 0.41922 1.76211
54 2I7C AAT 0.00003786 0.4313 1.76678
55 1G0N PHH 0.000004679 0.42781 1.76678
56 2BOI MFU 0.002858 0.44885 1.76991
57 2GWD GLU 0.001156 0.46053 1.78174
58 1ECC PCP 0.0006646 0.42478 1.78571
59 1E1O LYS 0.002038 0.40221 1.78571
60 3SJU NDP 0.0002318 0.41561 1.79211
61 1PX8 XYP 0.005322 0.44215 1.8
62 1EYQ NAR 0.002122 0.44907 1.8018
63 4MOB ADP 0.002971 0.4223 1.80723
64 3DGB MUC 0.0007618 0.45723 1.83246
65 3FPZ AHZ 0.0001814 0.43407 1.84049
66 3QO8 SSA 0.002404 0.4279 1.85567
67 1F3L SAH 0.0002737 0.4417 1.86916
68 4HZO COA 0.0004274 0.48581 1.88679
69 2HEK GDP 0.005023 0.42806 1.88679
70 1UOU CMU 0.000325 0.46689 1.89873
71 1MOQ GLP 0.0004126 0.44819 1.90217
72 2NLI LAC 0.00038 0.40608 1.90217
73 2NLI FMN 0.00038 0.40608 1.90217
74 1GEE NAD 0.0003235 0.41144 1.91571
75 2O2C G6Q 0.0008842 0.44478 1.92678
76 1UMP SQA 0.0004122 0.42446 1.92678
77 1Z6K OAA 0.005505 0.42414 1.92678
78 1H2B NAJ 0.0000587 0.42605 1.94986
79 1UF5 CDT 0.001729 0.44762 1.9802
80 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.00557 0.40643 1.98676
81 2QJN KDG 0.0001101 0.48564 1.99005
82 4B9E FAH 0.001063 0.48894 1.99336
83 1FA2 DOM 0.0002404 0.42154 2.00803
84 3TKA CTN 0.00001092 0.67601 2.01729
85 3TKA SAM 0.0007331 0.43082 2.01729
86 3SCH TB6 0.003079 0.45936 2.0202
87 1ZZ7 S0H 0.002683 0.45008 2.0202
88 2Z9V PXM 0.003813 0.44324 2.04082
89 4KGM ATP 0.007058 0.41753 2.04082
90 4LHM AZZ 0.002863 0.45461 2.04545
91 2Q1A 2KT 0.002102 0.46728 2.04778
92 3O7B SAH 0.0002462 0.45647 2.04918
93 2O4J VD4 0.00006458 0.44627 2.05479
94 1IIM TTP 0.00006409 0.41275 2.05479
95 1REO FAD 0.00006686 0.40611 2.05761
96 2H6T IVA VAL VAL STA ALA STA 0.0008786 0.44037 2.05882
97 3I0O SMI 0.001006 0.47561 2.0649
98 3I0O ADP 0.001883 0.44606 2.0649
99 1Y9Q MED 0.0009684 0.48336 2.08333
100 1KPG 16A 0.02632 0.40304 2.09059
101 9LDB OXM 0.01194 0.458 2.10843
102 9LDT OXM 0.03668 0.43059 2.10843
103 2IZ1 ATR 0.001263 0.47786 2.1097
104 4WBD CIT 0.001426 0.49066 2.11946
105 4WBD ADP 0.001826 0.47733 2.11946
106 3A1I UNU 0.000506 0.47014 2.11946
107 3PC3 P1T 0.0003088 0.44402 2.11946
108 1GEX PLP HSA 0.00136 0.40784 2.11946
109 1L8N GCW 0.002408 0.40601 2.11946
110 4IU0 ABH 0.0006831 0.42806 2.12121
111 2RL1 UD1 0.0002427 0.43184 2.12264
112 4PB2 5UD 0.004201 0.41096 2.12264
113 1EYE PMM 0.0005316 0.46364 2.14286
114 3IBH GSH 0.0008743 0.43205 2.14592
115 1FBL HTA 0.002328 0.44217 2.16216
116 3EE4 MYR 0.001441 0.4205 2.16718
117 3DG6 MUC 0.0003707 0.46461 2.17984
118 1GSA ADP 0.0004238 0.40288 2.21519
119 2VKL MLT 0.03161 0.43425 2.22222
120 4C2G ALA ALA ALA ALA 0.001592 0.4545 2.24215
121 3U1T MLI 0.00114 0.48745 2.26537
122 4DYO SD4 0.008505 0.42284 2.26804
123 2AG8 NAP 0.00396 0.40505 2.28137
124 2P41 G1G 0.0008335 0.46671 2.29508
125 2P41 SAH 0.0002118 0.45888 2.29508
126 1ZED PNP 0.0004262 0.50857 2.31214
127 2ZWS PLM 0.02939 0.44385 2.31214
128 2YP9 SIA CMO 0.00628 0.4098 2.31214
129 1TB4 PEJ 0.0005147 0.40858 2.31214
130 3I28 34N 0.00001589 0.40118 2.31214
131 1OAA OAA 0.0001836 0.40833 2.3166
132 3TFC PEP 0.001316 0.46394 2.33766
133 2WGC SIA GAL BGC 0.002661 0.50486 2.33918
134 1WGC SIA GAL BGC 0.01009 0.46208 2.33918
135 1AUA BOG 0.002969 0.44811 2.36486
136 2EJU SAH 0.0003565 0.45053 2.38095
137 4NM5 ADP 0.001517 0.41616 2.38727
138 4OJ8 2TQ 0.000426 0.4351 2.38908
139 4OJ8 AKG 0.004764 0.4055 2.38908
140 4E2J MOF 0.01698 0.40025 2.4
141 1VDC FAD 0.0002935 0.40715 2.4024
142 1RHC F42 ACN 0.0005863 0.40692 2.42424
143 3ULK NDP 0.001 0.42237 2.44399
144 3AXB FAD 0.0001962 0.40039 2.45536
145 1CBF SAH 0.0005571 0.45258 2.45614
146 4USS GSH 0.008373 0.4279 2.46154
147 1XE7 GUN 0.04296 0.42019 2.46305
148 2W8Q SIN 0.007193 0.44785 2.46407
149 1GPJ CIT 0.0009178 0.48447 2.47525
150 1F1V DHY 0.0001625 0.49754 2.47678
151 2Q28 ADP 0.0003001 0.44878 2.48227
152 2WK1 SAH 0.001897 0.4163 2.48227
153 1X8X TYR 0.003113 0.43684 2.48447
154 2JAR UMP 0.0002191 0.45834 2.5
155 1GJW GLC 0.0004017 0.50985 2.50482
156 1GJW MAL 0.0006289 0.46616 2.50482
157 4O8A FAD 0.000008442 0.45699 2.50482
158 1TIW FAD 0.000003235 0.44728 2.50482
159 1TIW TFB 0.000003235 0.44728 2.50482
160 1QPB TPP 0.0001644 0.43355 2.50482
161 1QPB PYM 0.0001888 0.43166 2.50482
162 4O8A 2OP 0.03775 0.42325 2.50482
163 2HNK SAH 0.001075 0.42881 2.51046
164 3KYQ DPV 0.04753 0.40703 2.51256
165 3NOJ PYR 0.03382 0.4026 2.52101
166 4C6F DOR 0.001702 0.44791 2.54453
167 4C6F NCD 0.001702 0.44791 2.54453
168 4QDC ASD 0.000775 0.41085 2.5641
169 3KO8 NAD 0.0003021 0.40931 2.5641
170 1O9U ADZ 0.00484 0.47118 2.57143
171 4BG1 IVL 0.001734 0.41767 2.58398
172 4BG1 OGA 0.001734 0.41767 2.58398
173 3RF4 FUN 0.000696 0.47633 2.58621
174 3I51 45C 0.0002699 0.47571 2.59259
175 3UER BTU 0.01235 0.40752 2.59542
176 3UER TUR 0.01235 0.40752 2.59542
177 3KYF 5GP 5GP 0.0006467 0.46565 2.5974
178 4Q3S X7A 0.0006136 0.414 2.5974
179 4Q3R XA2 0.001108 0.4107 2.5974
180 1GT6 OLA 0.04963 0.41986 2.60223
181 1J78 OLA 0.0167 0.4382 2.62009
182 2WL9 MBD 0.00263 0.40163 2.62295
183 1TUV VK3 0.02076 0.43728 2.63158
184 3HMO STU 0.01208 0.41951 2.63158
185 3QP6 HL6 0.0003408 0.46607 2.64151
186 3RHZ UDP 0.003239 0.41513 2.65487
187 1EB9 HBA 0.0006356 0.46045 2.67176
188 1QZZ SAM 0.0004821 0.46005 2.6738
189 1Z45 GAL 0.0002057 0.50002 2.6975
190 1Z45 UPG 0.00222 0.4212 2.6975
191 4J7H TRH 0.002415 0.41614 2.6975
192 4J7H TLO 0.004284 0.40384 2.6975
193 1Z45 NAD 0.000768 0.40347 2.6975
194 2Q1W NAD 0.00007818 0.42585 2.7027
195 2AHR NAP 0.0002243 0.41602 2.7027
196 1JCM 137 0.0005542 0.41065 2.7027
197 1P1M MET 0.0008654 0.42453 2.70936
198 2Q8M AMP 0.0008051 0.45624 2.71084
199 2OWZ F6P 0.002593 0.42256 2.71084
200 2Q8M FBP 0.01041 0.40311 2.71084
201 1KTC NGA 0.0004628 0.48426 2.71605
202 3JQ3 ADP 0.0004282 0.4732 2.73224
203 1QS8 IVA VAL VAL STA ALA STA 0.0008565 0.42469 2.73556
204 1LDM OXM 0.02041 0.40224 2.73556
205 1KBI FMN 0.0002659 0.427 2.73973
206 1KBI PYR 0.0002659 0.427 2.73973
207 2GJN FMN 0.0001655 0.43717 2.7439
208 1YHM AHD 0.003413 0.45108 2.76243
209 4D7M TDC 0.0009364 0.40986 2.76498
210 4E13 NAD 0.001062 0.42515 2.82686
211 1RYD GLC 0.004538 0.4513 2.84238
212 1C3V PDC 0.0004381 0.49229 2.85714
213 2NCD ADP 0.01247 0.425 2.85714
214 1C3V NDP 0.0003649 0.40994 2.85714
215 2NVK NAP 0.00108 0.46779 2.86885
216 2VAR AMP 0.00005246 0.51165 2.8754
217 2VAR KDF 0.0003687 0.47016 2.8754
218 2VAR KDG 0.0009235 0.4538 2.8754
219 2VAR ANP 0.0006331 0.43306 2.8754
220 2OBM ADP 0.01998 0.42625 2.88184
221 3ANK NG6 GCD 0.002494 0.44091 2.89017
222 1C7S CBS 0.003608 0.42951 2.89017
223 3M6W SAM 0.002983 0.42425 2.89017
224 4LCQ URQ 0.0006273 0.40904 2.89017
225 1JGS SAL 0.001954 0.51267 2.89855
226 3DER ALA LYS 0.0005495 0.43522 2.89855
227 3GTD MLI 0.02482 0.41106 2.90456
228 1A59 COA 0.0008821 0.43601 2.91005
229 1A59 CIT 0.01471 0.43241 2.91005
230 1AX2 NDG GAL 0.002472 0.45168 2.92887
231 3ZF8 GDP 0.003465 0.43488 2.95082
232 1H65 GDP 0.004361 0.40357 2.96296
233 3CQ5 PMP 0.006425 0.42815 2.98103
234 3FC2 IBI 0.0000952 0.43012 2.98507
235 1SJD NPG 0.0007595 0.41933 2.98913
236 1LL2 UPG 0.001944 0.41593 3.003
237 4B16 NAG 0.02456 0.44043 3.00752
238 2R42 FPS 0.001492 0.42369 3.03797
239 4KWI 1TJ 0.00005575 0.40188 3.04183
240 3A2Y TS5 0.002305 0.4245 3.04569
241 2RC8 DSN 0.02309 0.41723 3.06122
242 1CTU ZEB 0.007498 0.40507 3.06122
243 1XX4 BAM 0.01772 0.41553 3.06513
244 2Q3M MLA 0.0003948 0.52925 3.06748
245 1XVA SAM 0.0004893 0.44113 3.08219
246 3TDC 0EU 0.00007537 0.56252 3.08285
247 2XCG XCG 0.00004849 0.43872 3.08285
248 3T1A 5MA 0.0008116 0.43734 3.08285
249 4B4D FAD 0.0005525 0.43514 3.08285
250 4EI7 GDP 0.007713 0.4098 3.08483
251 2JFV FLC 0.003101 0.45921 3.09278
252 2JBH 5GP 0.0003318 0.48408 3.11111
253 4K30 NLG 0.0009967 0.46934 3.125
254 1FP2 SAH 0.001849 0.43675 3.125
255 1FP2 HMO 0.002306 0.4286 3.125
256 2Y0I AKG 0.01247 0.425 3.125
257 2JL1 NAP 0.002045 0.4117 3.13589
258 1H2K OGA 0.0008759 0.48544 3.15186
259 1H2M OGA 0.001273 0.47769 3.15186
260 4B7E OGA 0.00122 0.47174 3.15186
261 3P3N AKG 0.002169 0.46663 3.15186
262 2WA4 069 0.00282 0.43391 3.15186
263 3AYS CT3 0.000901 0.45957 3.19149
264 2HJ3 FAD 0.0003352 0.44277 3.2
265 1E4E ADP 0.0008699 0.43623 3.207
266 1E4E PHY 0.002547 0.42692 3.207
267 3G89 SAM 0.01847 0.41392 3.21285
268 1WRA PC 0.008726 0.44369 3.24675
269 3GX0 GDS 0.001363 0.4251 3.25581
270 2YLD CMO 0.0001306 0.52491 3.27553
271 3ZGE ASP 0.0004827 0.51478 3.27553
272 1WDA BAG 0.0002479 0.48958 3.27553
273 3LST SAH 0.0002725 0.46994 3.27553
274 1E5F PLP 0.0007451 0.44767 3.27553
275 2C31 ADP 0.001795 0.40124 3.27553
276 2PFC PLM 0.001621 0.44377 3.27869
277 3T2W BTN 0.04337 0.40187 3.27869
278 1UAY ADN 0.002248 0.43337 3.30579
279 3CEV ARG 0.004345 0.43554 3.34448
280 1HKU NAD 0.0001716 0.41936 3.35196
281 2RCN GDP 0.008576 0.41823 3.35196
282 3MD0 GDP 0.003843 0.43786 3.38028
283 3ZPG 5GP 0.001556 0.49749 3.40314
284 1T26 GBD 0.0001316 0.44567 3.41615
285 1T26 NAI 0.0001316 0.44567 3.41615
286 4EXO PYR 0.0002895 0.52617 3.42466
287 2WUF KEM 0.001256 0.4155 3.43643
288 3V91 UPG 0.003613 0.4032 3.43643
289 2YPO PHE 0.00001794 0.45141 3.4632
290 3Q9T FAY 0.00004349 0.4184 3.4662
291 3LPF Z77 0.0001613 0.4338 3.46821
292 2WDA L42 0.02144 0.42802 3.46821
293 2X5F PLP 0.0451 0.40097 3.46821
294 3PMA SCR 0.002738 0.44968 3.4749
295 3PVT 3HC 0.0001502 0.40334 3.4749
296 2V5E SCR 0.003884 0.48519 3.5
297 3TN7 NJP 0.00001442 0.45031 3.50195
298 2YFT DQR 0.0005386 0.45315 3.50263
299 3GWN FAD 0.01413 0.40672 3.50877
300 4OB6 S2T 0.0003976 0.45827 3.51906
301 2BO4 FLC 0.0004003 0.50992 3.52645
302 1NVV GNP 0.001518 0.40631 3.5343
303 1EP2 FMN 0.000116 0.4346 3.53698
304 1EP2 ORO 0.00003045 0.43054 3.53698
305 1EP2 FAD 0.002745 0.4041 3.53698
306 1YGC 905 0.003618 0.40982 3.54331
307 1GV0 NAD 0.0001179 0.42739 3.54839
308 1ZS6 ADP 0.008768 0.42226 3.5503
309 4K7O EKZ 0.002141 0.47391 3.57143
310 4JHG ZEA 0.001538 0.43544 3.57143
311 1ML4 PAL 0.00121 0.41435 3.57143
312 2ZJF BSU 0.004583 0.42974 3.59116
313 1P72 THM 0.001993 0.45587 3.59281
314 3QV9 QV7 0.0003408 0.49733 3.60721
315 1VQ2 DDN 0.001074 0.43706 3.62694
316 2VDJ HSE 0.00193 0.48391 3.65448
317 1A8S PPI 0.005424 0.42441 3.663
318 2ZYF AKG 0.02594 0.40165 3.66492
319 2Y7P SAL 0.0003693 0.48865 3.66972
320 1H8P PC 0.01769 0.44103 3.66972
321 1NML CIT 0.001274 0.46456 3.68098
322 1NNS ASP 0.003222 0.43621 3.68098
323 4LO6 SIA GAL 0.04284 0.41173 3.68421
324 2VEZ G6P 0.0006823 0.40498 3.68421
325 1B4P GPS 0.0005045 0.44497 3.68664
326 2ZV2 609 0.046 0.40052 3.69128
327 4E28 9MZ 0.02649 0.4145 3.69231
328 4E28 0MZ 0.027 0.40936 3.69231
329 3EW2 BTN 0.0009535 0.46417 3.7037
330 1FW1 GSH 0.001039 0.44675 3.7037
331 1POC GEL 0.001484 0.43175 3.73134
332 2Z7R STU 0.01551 0.40202 3.73832
333 2EB5 OXL 0.001092 0.48087 3.74532
334 2NX1 PEP 0.00003605 0.45017 3.74532
335 2NX1 RP5 0.00004014 0.44874 3.74532
336 3UST FAD 0.004108 0.41884 3.74532
337 1VL8 NAP 0.0002705 0.40774 3.74532
338 1OYB FMN 0.0002343 0.43997 3.75
339 1OYB HBA 0.0002694 0.42682 3.75
340 2HFK E4H 0.0008137 0.47329 3.76176
341 3GJB AKG 0.0007643 0.46835 3.76176
342 1Q11 TYE 0.0002792 0.49408 3.76344
343 1WNG SAH 0.0003567 0.44607 3.77358
344 3BW2 FMN 0.0001404 0.42515 3.79404
345 1NXJ TLA 0.002685 0.42398 3.82514
346 1NXJ GLV 0.02333 0.40367 3.82514
347 1HYE NAP 0.00172 0.41092 3.83387
348 1RZM E4P 0.00144 0.48244 3.84615
349 1RZM PEP 0.001701 0.45895 3.84615
350 1LC8 33P 0.001361 0.40477 3.84615
351 2YB9 HA0 0.0002502 0.41779 3.85356
352 2Z5Y HRM 0.0006811 0.40796 3.85356
353 5XHA FRU FRU 0.016 0.40674 3.85356
354 4AF0 MOA 0.002499 0.40236 3.85356
355 1AUX AGS 0.0008726 0.44048 3.85852
356 2A2X NA9 0.001393 0.42868 3.861
357 4U9W SER GLY ARG GLY LYS NH2 0.01201 0.42834 3.86473
358 4U9W COA 0.006312 0.40791 3.86473
359 2J73 GLC GLC GLC 0.02996 0.43482 3.8835
360 3PNA CMP 0.000999 0.46329 3.8961
361 3BAZ NAP 0.0006361 0.41842 3.9039
362 2P69 PLP 0.0001552 0.51311 3.92157
363 1QF5 RPL 0.0004348 0.40258 3.94432
364 1QF5 GDP 0.0004348 0.40258 3.94432
365 1UCN ADP 0.003424 0.42606 3.94737
366 3LM9 ADP 0.004133 0.42709 3.97351
367 3NGU ADP 0.005156 0.41896 3.97351
368 1ULE GLA GAL NAG 0.003335 0.47172 4
369 4QED NAP 0.0005017 0.40891 4.03226
370 2NXW TPP 0.0005404 0.40219 4.0708
371 3S7O LBV 0.00005666 0.43321 4.08163
372 1E2S CSN 0.00004707 0.50036 4.08998
373 5D63 FUC GLA GLA 0.00339 0.45736 4.09556
374 5D63 FUC GAL GLA 0.01431 0.41298 4.09556
375 1HFA PIO 0.0009191 0.53001 4.15225
376 1I1Q TRP 0.0008688 0.46593 4.16667
377 3SQP FAD 0.02513 0.40984 4.1841
378 1Q3Q ANP 0.0006063 0.40584 4.19708
379 4KOA NDP 0.003862 0.416 4.2042
380 2QF7 COA 0.000715 0.45322 4.23892
381 1YBH P22 0.008553 0.41828 4.23892
382 4FGC PQ0 0.005586 0.44118 4.24242
383 1CKM GTP 0.003453 0.41055 4.24242
384 2I3G NAP 0.000155 0.41748 4.26136
385 3WBF NAP 0.0003741 0.41577 4.2623
386 5EQU AKG 0.04354 0.41406 4.2623
387 3KJQ B94 0.002688 0.43476 4.26829
388 2PP3 LGT 0.000711 0.45332 4.27136
389 2R5T ANP 0.000313 0.44382 4.28954
390 3BHO B4P 0.01392 0.45427 4.32692
391 3NKS ACJ 0.0003229 0.46178 4.40252
392 3NKS FAD 0.0001019 0.40762 4.40252
393 1LYX PGA 0.001204 0.44418 4.43548
394 1Z42 HBA 0.009606 0.47386 4.43787
395 1Z44 NPO 0.04775 0.43134 4.43787
396 1Z44 FMN 0.002608 0.43079 4.43787
397 1Z48 FMN 0.002474 0.42741 4.43787
398 1Z41 FMN 0.003234 0.42289 4.43787
399 1Z42 FMN 0.00536 0.42245 4.43787
400 3I6B KDO 0.009423 0.4256 4.44444
401 1RYI GOA 0.004681 0.49015 4.45026
402 1I2L DCS 0.002557 0.41525 4.46097
403 4OYA 1VE 0.0004058 0.43307 4.46809
404 1I0Z OXM 0.005251 0.46929 4.5045
405 1UXG NAD 0.000163 0.40372 4.53074
406 1UXG FUM 0.000163 0.40372 4.53074
407 3GWT 066 0.00003262 0.40682 4.53258
408 1V35 NAI 0.0001851 0.40595 4.55927
409 2YDW WSH 0.0001222 0.49616 4.57516
410 3NFZ 3NF 0.001189 0.4493 4.58716
411 4FFS BIG 0.003295 0.40144 4.60251
412 4KCT PYR 0.0007975 0.46754 4.60922
413 4KCT FDP 0.002695 0.43471 4.60922
414 2ZJ5 ADP 0.001355 0.46963 4.62428
415 1KC7 PPR 0.005893 0.45214 4.62428
416 1V5F TPP 0.009923 0.40337 4.62428
417 1V5F FAD 0.009923 0.40337 4.62428
418 3RK0 AMP 0.01061 0.41024 4.64135
419 2Z6C FMN 0.03756 0.41467 4.65116
420 2HV8 GTP 0.0001519 0.44224 4.6875
421 3BF8 MLA 0.04615 0.40252 4.70588
422 1T0I FMN 0.0001236 0.46751 4.71204
423 4PTZ FMN 0.001685 0.42966 4.71204
424 2QV7 ADP 0.0006425 0.45017 4.74777
425 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.007601 0.45333 4.7619
426 4LKK SIA GAL 0.002362 0.42021 4.7619
427 4O1M NAD 0.00005025 0.40061 4.7619
428 3DNT ATP 0.002823 0.40369 4.77273
429 2YGO PCF 0.0006706 0.40817 4.78723
430 3RY9 1CA 0.0207 0.40498 4.8
431 2Q09 DI6 0.006973 0.4266 4.80769
432 2JC9 ADN 0.006844 0.43184 4.81696
433 2NZ2 ASP 0.03217 0.40151 4.84262
434 1VE3 SAM 0.00404 0.41159 4.84582
435 3V1V GST 0.004128 0.4149 4.84988
436 4I9A NCN 0.0007684 0.40639 4.86111
437 1B5E DCM 0.008617 0.42259 4.87805
438 2XI7 XI7 0.0007313 0.53751 4.8913
439 3QDT A2G GAL 0.0004351 0.51709 4.8951
440 3QDY CBS 0.0008285 0.4943 4.8951
441 3QDY A2G GAL 0.001891 0.48436 4.8951
442 4LIT AKG 0.0006068 0.48575 4.914
443 4L7I SAM 0.002024 0.42664 4.914
444 4JEJ 1GP 0.002317 0.43741 4.91803
445 1PEA ACM 0.0035 0.47064 4.93506
446 1QO0 BMD 0.01725 0.42348 4.93506
447 3KO0 TFP 0.02403 0.42815 4.9505
448 2TOH HBI 0.002507 0.40232 4.95627
449 2D3S TNR 0.03089 0.40277 4.95868
450 3OCZ SRA 0.0003699 0.45459 4.96183
451 4M4Q 21A 0.002634 0.40161 4.97925
452 3D2Y AH0 ALA FGA LYS 0.001499 0.4275 4.98084
453 3D3H M4O 0.003809 0.42012 5
454 2BH9 NAP 0.004495 0.41732 5.00963
455 2PUL ACP 0.0001516 0.47453 5.03778
456 2C2A ADP 0.0007167 0.44372 5.03876
457 1Y75 NAG 0.0001598 0.49786 5.08475
458 2Q2V NAD 0.00005924 0.42594 5.09804
459 1WKL ADP 0.001671 0.42576 5.10949
460 1WKL ATP 0.006972 0.40282 5.10949
461 3WUD GLC GAL 0.01374 0.44008 5.14706
462 1UJ2 ADP 0.0006494 0.41814 5.15873
463 1U5R ATP 0.01729 0.41194 5.17241
464 1QDS PGA 0.004479 0.43017 5.17928
465 3UWB BB2 0.04068 0.40545 5.19481
466 3MTW M3R 0.0003275 0.46154 5.21092
467 3ZOD HQE 0.0008805 0.41069 5.2356
468 3ZOD FMN 0.0008805 0.41069 5.2356
469 4ORR PE3 0.0006941 0.41721 5.26316
470 3KMR EQN 0.01823 0.40456 5.26316
471 2PR5 FMN 0.00007086 0.47644 5.30303
472 2J5S KTA 0.00254 0.41904 5.32319
473 1Y42 TYR 0.003694 0.44386 5.35714
474 1TDF NAP 0.000633 0.41427 5.37975
475 3I8P 840 0.0003062 0.46268 5.38642
476 1MZV AMP 0.002227 0.44298 5.39499
477 2X61 NGA GAL SIA 0.0005254 0.40756 5.42636
478 1GS5 ANP 0.0002919 0.40682 5.42636
479 1GS5 NLG 0.0002919 0.40682 5.42636
480 4K79 GAL A2G 0.03786 0.4125 5.45455
481 1QD0 RR6 0.008077 0.41513 5.46875
482 4MGD 27N 0.01432 0.41942 5.4902
483 3QP4 HL0 0.001051 0.44187 5.49451
484 2B7N NTM 0.01459 0.42183 5.49451
485 2IYF UDP 0.02947 0.40063 5.54217
486 3BRE C2E 0.03464 0.40885 5.58659
487 1B7Y FYA 0.0008202 0.41488 5.58767
488 3O55 FAD 0.0001976 0.4347 5.6
489 2CFC KPC 0.04468 0.41018 5.6
490 4M5P MLA 0.0009195 0.52 5.65111
491 4M5P FMN 0.0002449 0.44756 5.65111
492 4M5P 23W 0.01116 0.44474 5.65111
493 1YOA FMN 0.005043 0.48868 5.66038
494 1YOA FAD 0.00003994 0.4704 5.66038
495 2ZSC BTN 0.0004033 0.46315 5.67376
496 2OHV NHL 0.001558 0.45491 5.68182
497 1A5V Y3 0.0008639 0.47866 5.6962
498 4LN7 1ZQ 0.002431 0.42363 5.74163
499 1SG4 CO8 0.0003028 0.42523 5.76923
500 4JRB PGT 0.008138 0.41499 5.76923
501 3BK2 U5P 0.0004323 0.46732 5.78035
502 4EPM AMP 0.0002713 0.43783 5.78035
503 3IAE D7K 0.00007266 0.4301 5.78035
504 2BLE 5GP 0.0009485 0.40204 5.78035
505 1SS4 GSH 0.00004145 0.61779 5.88235
506 1SS4 CIT 0.003549 0.47456 5.88235
507 3PMD 11A 0.001573 0.44936 5.88235
508 1B55 4IP 0.002123 0.43435 5.91716
509 4QVH COA 0.0004133 0.41932 5.97302
510 2Y6P CTP 0.006476 0.4234 5.98291
511 3K5X P8D 0.0009657 0.4583 6
512 2FGQ MLT 0.006824 0.44282 6.0241
513 3LTW HLZ 0.003593 0.45615 6.07143
514 2WMO GTP 0.001217 0.444 6.07477
515 3CKJ CIT 0.0002947 0.4256 6.07903
516 1XIU REA 0.0002208 0.46308 6.08696
517 3UEC ALA ARG TPO LYS 0.00796 0.44567 6.16438
518 3OIG NAD 0.0003264 0.41496 6.1657
519 1NU4 MLA 0.02293 0.404 6.18557
520 4QCK ASD 0.0007541 0.41606 6.21762
521 4A6D SAM 0.003754 0.40924 6.23229
522 4N7C AEF 0.004627 0.45735 6.25
523 1UW1 ADP 0.01375 0.42302 6.25
524 1DBT U5P 0.004387 0.41027 6.27615
525 1J5P NAD 0.0004183 0.41752 6.32411
526 1Y2W NAG 0.0004251 0.50044 6.33803
527 3BY8 MLT 0.0008683 0.4933 6.33803
528 4RJK PYR 0.003971 0.46783 6.35838
529 4RJK TDL 0.00008734 0.43121 6.35838
530 4RJK TPP 0.001314 0.40227 6.35838
531 4DEC UDP 0.00009444 0.44109 6.39535
532 4DEC 3PG 0.00009444 0.44109 6.39535
533 4RPM HXC 0.04807 0.43117 6.40394
534 3RO7 TDR 0.0007258 0.41018 6.41509
535 1MQ0 BRD 0.0006126 0.4559 6.42857
536 2F2U M77 0.0004071 0.47412 6.46766
537 2QLX RM4 0.003631 0.46256 6.48148
538 2XDQ MGX 0.002041 0.49121 6.55106
539 1TOI HCI 0.0003907 0.41521 6.56566
540 1QR0 COA 0.001269 0.45329 6.57895
541 1W7J ADP BEF 0.001164 0.43574 6.62252
542 3DX5 DHB 0.0002697 0.48167 6.64336
543 3L6R MLI 0.01078 0.43913 6.6474
544 4MG8 27J 0.004652 0.4436 6.66667
545 4MGA 27L 0.01094 0.44032 6.66667
546 4IXW IXW 0.002752 0.44417 6.69291
547 2DTJ THR 0.0009865 0.45791 6.74157
548 4IDT T28 0.02614 0.40318 6.74157
549 1JN2 SFP 0.003527 0.46933 6.75105
550 1NF8 ISC 0.00004532 0.50748 6.76329
551 1NF8 BOG 0.02188 0.42177 6.76329
552 4ASJ N6A 0.0006774 0.4245 6.82594
553 4G4S LDZ 0.0009585 0.43894 6.82927
554 2CB8 MYA 0.01293 0.43995 6.89655
555 3GM5 CIT 0.005521 0.44722 6.91824
556 2HKA C3S 0.01004 0.41665 6.92308
557 2JGS BTN 0.02767 0.40663 6.92308
558 4R3L COA 0.007009 0.40797 6.93642
559 4WNB 4BN 0.004493 0.41351 6.95187
560 5RHN 8BR 0.00255 0.4269 6.95652
561 2VQ5 HBA 0.005479 0.45371 6.96517
562 2VQ5 LDP 0.01417 0.44621 6.96517
563 1EDO NAP 0.0001119 0.43444 6.96721
564 3W54 RNB 0.01455 0.41227 6.99088
565 2FH5 GTP 0.0005633 0.43893 7.00935
566 4L1F COS 0.002448 0.40577 7.04961
567 3K3K A8S 0.00005032 0.47671 7.109
568 3CF6 SP1 0.0003824 0.45893 7.12909
569 1QW9 KHP 0.001073 0.41114 7.17131
570 4JCA CIT 0.002176 0.49919 7.18563
571 3W8S GSH 0.01963 0.41582 7.28155
572 4OAS 2SW 0.02822 0.40474 7.29167
573 1BUC CAA 0.0001116 0.44663 7.31071
574 4NSQ COA 0.02006 0.40563 7.36842
575 3O2K QRP 0.00358 0.43428 7.38397
576 3O2K DST 0.01444 0.41725 7.38397
577 1G8S MET 0.0006973 0.49017 7.3913
578 1Q6O LG6 0.0001034 0.481 7.40741
579 2Y7G AAE 0.0002362 0.46706 7.44681
580 3M0J OAF 0.0001383 0.42206 7.49186
581 4JWX 1N4 0.007669 0.42962 7.5
582 2FR6 CTN 0.0001074 0.46977 7.53425
583 2FR6 URI 0.0002428 0.45669 7.53425
584 1BTN I3P 0.0009913 0.5385 7.54717
585 1TFZ 869 0.001881 0.42006 7.54717
586 3NCQ ATP 0.000325 0.44324 7.56302
587 1H0A I3P 0.02456 0.42154 7.59494
588 1T3D CYS 0.005743 0.4527 7.61246
589 2EWM NAD 0.0005112 0.40573 7.63052
590 1Y1A GSH 0.003086 0.5073 7.65027
591 2BZ1 TAU 0.00355 0.49757 7.65306
592 4NAO AKG 0.02351 0.42226 7.66871
593 2UZ2 BTN 0.003064 0.4238 7.69231
594 4Q3F TLA 0.01899 0.42148 7.69231
595 2D0V PQQ 0.00007298 0.47089 7.70713
596 3WCS MAN NAG 0.005257 0.43698 7.87402
597 3WCS MAN NAG GAL 0.003432 0.43505 7.87402
598 4OHB 5HM 0.001411 0.43689 7.89474
599 1FWE HAE 0.002221 0.44821 8
600 3SHR CMP 0.000901 0.45957 8.02676
601 1Y7P RIP 0.01542 0.43749 8.07175
602 3R51 MMA 0.001416 0.49968 8.125
603 1V6A TRE 0.004292 0.44648 8.13253
604 2QQ0 THM 0.0006 0.40962 8.15217
605 1ECM TSA 0.001843 0.45174 8.25688
606 1CM0 COA 0.02234 0.40981 8.33333
607 2EG5 XTS 0.03834 0.40128 8.33333
608 3VPQ GSH 0.04043 0.40112 8.33333
609 1U59 STU 0.02176 0.40394 8.36237
610 1R6W 164 0.0002327 0.46731 8.38509
611 3KMT SAH 0.001657 0.43865 8.40336
612 1SQ5 ADP 0.000105 0.49252 8.44156
613 1SQ5 PAU 0.005053 0.43775 8.44156
614 3SJ0 DXC 0.002124 0.47409 8.4507
615 3FXU TSU 0.00004744 0.45881 8.52459
616 3SQG COM 0.00714 0.47046 8.60215
617 3SQG TP7 0.005263 0.41465 8.60215
618 1TH8 ADP 0.002099 0.44407 8.62069
619 2RHQ GAX 0.0004502 0.43428 8.8632
620 2IYG FMN 0.001557 0.4445 8.87097
621 2F59 INI 0.0007261 0.43913 8.9172
622 3PLN U5P 0.002448 0.45186 8.96226
623 4DN8 BMA 0.001871 0.4697 8.97436
624 1SJW NGV 0.0001773 0.47189 9.02778
625 1YRX FMN 0.001156 0.4449 9.09091
626 2OFE NAG 0.0001609 0.52057 9.15493
627 2OFD NGA 0.0006975 0.49017 9.15493
628 1IM8 SAI 0.0002541 0.447 9.42623
629 2PVQ GSH 0.003173 0.41924 9.45274
630 1EZV SMA 0.001091 0.40778 9.45946
631 1H8G CHT 0.002463 0.50681 9.47368
632 1NYT NAP 0.00195 0.40282 9.5941
633 1JAC AMG 0.04367 0.4263 9.77444
634 4G28 0W8 0.0006022 0.47284 9.80392
635 1DXY COI 0.007393 0.46134 9.90991
636 1PTR PRB 0.005427 0.45392 10
637 1JH7 UVC 0.005102 0.443 10.0529
638 2DVZ GLU 0.03301 0.4081 10.1911
639 4WX0 HXD 0.002764 0.42553 10.2662
640 4P4T GDP 0.0002749 0.4547 10.2778
641 1T0S BML 0.0203 0.43132 10.4651
642 1B74 DGN 0.0005659 0.51124 10.6299
643 2DWU DGL 0.0004317 0.47912 10.8696
644 4JP3 CIT 0.002559 0.43564 10.8787
645 1C1L GAL BGC 0.003566 0.46295 10.9489
646 4B8V NDG NAG NAG NAG 0.0003295 0.42408 10.9649
647 1I7L ATP 0.0007788 0.42247 11.0032
648 1I52 CTP 0.0001575 0.42369 11.0169
649 2W3L DRO 0.003311 0.47999 11.1111
650 2FEQ 34P 0.0005305 0.44867 11.1111
651 3E5H GNP 0.0005742 0.42331 11.236
652 1GU3 BGC BGC BGC BGC BGC 0.007305 0.43057 11.4094
653 3B20 NAD 0.0008067 0.41512 11.5044
654 3B1J NAD 0.0004582 0.41006 11.5044
655 3IA4 MTX 0.03315 0.40123 11.7284
656 3E81 SLB 0.002983 0.45379 12.1951
657 2E2R 2OH 0.00003397 0.42925 12.2951
658 4L6C 0BT 0.0008447 0.42489 12.3762
659 4COQ SAN 0.0005158 0.49642 12.5506
660 3F81 STT 0.02934 0.42918 12.5683
661 3S9K CIT 0.03477 0.43862 12.7119
662 4W6Z ETF 0.002131 0.49021 12.9683
663 4F4S EFO 0.03522 0.41423 13.1579
664 2QCX PF1 0.001022 0.47529 13.308
665 2FOI JPA 0.00108 0.45624 13.3333
666 2O66 FLC 0.024 0.41175 13.3333
667 3CH5 GDP 0.007656 0.41608 13.4615
668 4IHQ ADP 0.006646 0.42751 13.6802
669 3U7Y FLC 0.01654 0.46246 13.9738
670 4FWE FAD 0.00001826 0.40858 14.0655
671 2F01 BTQ 0.001031 0.40474 14.1732
672 3L0E G58 0.00008009 0.44334 14.2292
673 4CCN OGA 0.003122 0.45907 14.2857
674 3I8T LBT 0.007928 0.42897 14.6341
675 2E1A MSE 0.001998 0.45021 14.6667
676 1SC3 MLI 0.001376 0.49145 14.7727
677 1KYV RBF 0.0002237 0.46286 15.0943
678 4AF5 CIT 0.001265 0.47782 15.2632
679 1DL7 NCH 0.006786 0.48116 15.5963
680 4F8L GAL 0.0002662 0.56304 15.8621
681 1KTG AMP 0.008622 0.44632 15.942
682 1Q3P GLU ALA GLN THR ARG LEU 0.001026 0.46279 16.5138
683 3F8C HT1 0.005411 0.44181 16.6667
684 2C3W GLC GLC GLC GLC 0.03719 0.41087 16.6667
685 1MXI SAH 0.0006645 0.44055 17.5
686 4P9Z NMI PTR 02K ASN NH2 0.01578 0.41552 17.9487
687 3RGG AIR 0.003146 0.43665 18.239
688 1QH9 LAC 0.0008719 0.48554 18.5345
689 1V7R CIT 0.001617 0.50637 19.8925
690 4OH4 ANP 0.01699 0.40907 23.8095
691 2FYU FDN 0.0004247 0.44773 28.3951
692 4CCO OGA 0.001566 0.46056 35
693 2P8O BVA 0.005306 0.41077 35.0515
694 4GQB 0XU 0.0005275 0.40406 45.4545
Pocket No.: 2; Query (leader) PDB : 3F3E; Ligand: LEU; Similar sites found: 44
This union binding pocket(no: 2) in the query (biounit: 3f3e.bio2) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.006305 0.45864 None
2 4RQL SNE 0.04685 0.40361 1.47059
3 5UXH GFB 0.01413 0.41288 1.63488
4 5KY9 GDP 0.009054 0.42929 1.69014
5 5KXQ GDP 0.005354 0.44475 1.69492
6 5AWM ANP 0.03611 0.40605 2.28426
7 5U9J GER 0.02084 0.42675 2.36686
8 5IKR ID8 0.03647 0.40239 2.6975
9 5T8O 76Z 0.01851 0.40135 3.15186
10 5K52 OCD 0.01282 0.40574 3.39623
11 4XUB 43D 0.01986 0.41963 3.4188
12 5M45 AMP 0.02851 0.40134 3.57143
13 5KAX RHQ 0.04773 0.40693 3.61446
14 4XPL ACO 0.02099 0.40469 3.68098
15 4RM0 FUC NAG GAL 0.004491 0.45929 4.11392
16 4WNP 3RJ 0.008627 0.42661 4.18118
17 3SQP 3J8 0.01542 0.42871 4.1841
18 4XG0 CIT 0.02452 0.42193 4.44965
19 5J32 IPM 0.04965 0.40602 5.21092
20 5A7C 5D4 0.0183 0.43319 5.30973
21 5DW1 5GD 0.03546 0.41604 5.30973
22 1U3R 338 0.008028 0.42455 5.39419
23 2YJD YJD 0.006797 0.43162 5.41667
24 5OCA 9QZ 0.005517 0.4409 5.55556
25 5DXE EST 0.01418 0.41962 6.51341
26 4TUZ 36J 0.003497 0.4541 6.66667
27 5KWY C3S 0.02543 0.40377 6.76692
28 4TV1 36M 0.01721 0.4313 6.77291
29 5UNJ RJW 0.02065 0.40818 6.93878
30 5GWE GWM 0.04065 0.40694 7.51445
31 1QY8 RDI 0.02581 0.40345 7.80669
32 5LX9 OLA 0.02497 0.40415 9.44625
33 5NVX 4YY 0.03545 0.40303 9.61539
34 4WQ2 3SU 0.02266 0.4031 10.4046
35 4UA3 COA 0.01509 0.40541 10.8247
36 4WGF HX2 0.04168 0.40537 11.2195
37 5X2N ALA 0.04488 0.4033 11.5207
38 5I89 69B 0.03702 0.40548 11.8644
39 5N18 8HZ 0.006622 0.45431 11.9266
40 4WN5 MVC 0.01292 0.4028 12.1739
41 5K53 STE 0.01115 0.41141 12.2137
42 5KY5 GDP 0.005666 0.44351 12.5
43 5HYR EST 0.01511 0.41825 12.7907
44 5KY4 GDP 0.004434 0.4534 15
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