Receptor
PDB id Resolution Class Description Source Keywords
1O23 2.32 Å EC: 2.4.1.22 CRYSTAL STRUCTURE OF LACTOSE SYNTHASE IN THE PRESENCE OF UDP MUS MUSCULUS ALPHA-LACTALBUMIN; BETA14-GALACTOSYLTRANSFERASE; UDP-GLUCOTRANSFERASE ACTIVATOR-TRANSFERASE COMPLEX
Ref.: ALPHA-LACTALBUMIN (LA) STIMULATES MILK BETA-1,4-GALACTOSYLTRANSFERASE I (BETA 4GAL-T1) TO GLUCOSE FROM UDP-GLUCOSE TO N-ACETYLGLUCOSAMINE. CR STRUCTURE OF BETA 4GAL-T1 X LA COMPLEX WITH UDP-GLC J.BIOL.CHEM. V. 276 37665 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:805;
C:806;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GUD B:809;
D:810;
Valid;
Valid;
none;
none;
submit data
566.302 C15 H24 N2 O17 P2 C1=CN...
MES A:815;
Invalid;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
MN B:807;
D:808;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
PG4 A:813;
C:814;
Invalid;
Invalid;
none;
none;
submit data
194.226 C8 H18 O5 C(COC...
UDP B:811;
D:812;
Valid;
Valid;
none;
none;
submit data
404.161 C9 H14 N2 O12 P2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YRO 1.9 Å EC: 2.4.1.22 CRYSTAL STRUCTURE OF BETA14,-GALACTOSYLTRANSFERASE MUTANT ARG228LYS IN COMPLEX WITH ALPHA-LACTALBUMIN IN THE P RESENCE OF UDP-GALACTOSE AND MN MUS MUSCULUS ARG228LYS MUTATION; UDP-GAL COMPLEX TRANSFERASE ACTIVATOR/TRANSFERASE COMPLEX
Ref.: MUTATION OF ARGININE 228 TO LYSINE ENHANCES THE GLUCOSYLTRANSFERASE ACTIVITY OF BOVINE BETA-1,4-GALACTOSYLTRANSFERASE I BIOCHEMISTRY V. 44 3202 2005
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1NHE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 2FYC - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
3 1PZY - NAG C8 H15 N O6 CC(=O)NC1C....
4 1NMM - NAG C8 H15 N O6 CC(=O)NC1C....
5 1NWG - BGN C10 H19 N O6 CCCC(=O)NC....
6 2FYD - NGA C8 H15 N O6 CC(=O)NC1C....
7 1NKH - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
8 1YRO - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
9 1NF5 - BGC C6 H12 O6 C(C1C(C(C(....
10 1OQM - UD2 C17 H27 N3 O17 P2 CC(=O)NC1C....
11 1O23 - GUD C15 H24 N2 O17 P2 C1=CN(C(=O....
12 1NQI - NAG C8 H15 N O6 CC(=O)NC1C....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1NHE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 2FYC - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
3 1PZY - NAG C8 H15 N O6 CC(=O)NC1C....
4 1NMM - NAG C8 H15 N O6 CC(=O)NC1C....
5 1NWG - BGN C10 H19 N O6 CCCC(=O)NC....
6 2FYD - NGA C8 H15 N O6 CC(=O)NC1C....
7 1NKH - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
8 1YRO - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
9 1NF5 - BGC C6 H12 O6 C(C1C(C(C(....
10 1OQM - UD2 C17 H27 N3 O17 P2 CC(=O)NC1C....
11 1O23 - GUD C15 H24 N2 O17 P2 C1=CN(C(=O....
12 1NQI - NAG C8 H15 N O6 CC(=O)NC1C....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1NHE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 2FYC - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
3 1PZY - NAG C8 H15 N O6 CC(=O)NC1C....
4 1NMM - NAG C8 H15 N O6 CC(=O)NC1C....
5 1NWG - BGN C10 H19 N O6 CCCC(=O)NC....
6 2FYD - NGA C8 H15 N O6 CC(=O)NC1C....
7 1NKH - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
8 1YRO - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
9 1NF5 - BGC C6 H12 O6 C(C1C(C(C(....
10 1OQM - UD2 C17 H27 N3 O17 P2 CC(=O)NC1C....
11 1O23 - GUD C15 H24 N2 O17 P2 C1=CN(C(=O....
12 1NQI - NAG C8 H15 N O6 CC(=O)NC1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GUD; Similar ligands found: 85
No: Ligand ECFP6 Tc MDL keys Tc
1 GDU 1 1
2 UPG 1 1
3 GUD 1 1
4 UFM 1 1
5 USQ 0.8 0.846154
6 UPF 0.797619 0.943662
7 U2F 0.797619 0.943662
8 UFG 0.797619 0.943662
9 UD1 0.73913 0.985294
10 UD2 0.73913 0.985294
11 UGA 0.738636 0.985075
12 UGB 0.738636 0.985075
13 UDP 0.717949 0.941176
14 UAD 0.715909 0.970588
15 UDP GAL 0.715909 0.970588
16 UDX 0.715909 0.970588
17 UTP 0.7125 0.941176
18 IUG 0.693878 0.835443
19 C5G 0.688889 0.943662
20 UPU 0.670588 0.970149
21 EPZ 0.650485 0.971014
22 UNP 0.647059 0.914286
23 EPU 0.644231 0.957143
24 EEB 0.644231 0.957143
25 U 0.641026 0.926471
26 U5P 0.641026 0.926471
27 HP7 0.636364 0.970588
28 UD7 0.636364 0.956522
29 2GW 0.632653 0.957143
30 MJZ 0.63 0.942857
31 UD4 0.623762 0.942857
32 UDZ 0.615385 0.88
33 UPP 0.615385 0.942029
34 UDH 0.615385 0.866667
35 UMA 0.598214 0.971014
36 44P 0.597561 0.901408
37 UDM 0.59596 0.942857
38 12V 0.592233 0.929577
39 HWU 0.592233 0.929577
40 1GW 0.590476 0.917808
41 2KH 0.586207 0.914286
42 UDP UDP 0.576471 0.911765
43 U20 0.567797 0.858974
44 U21 0.567797 0.858974
45 U22 0.567797 0.8375
46 URI 0.552632 0.865672
47 CJB 0.551282 0.850746
48 UP5 0.527273 0.855263
49 UAG 0.523438 0.917808
50 2QR 0.520325 0.848101
51 DAU 0.519608 0.891892
52 U3P 0.511905 0.911765
53 UA3 0.511905 0.911765
54 CSQ 0.504762 0.878378
55 CSV 0.504762 0.878378
56 4TC 0.504425 0.833333
57 U U 0.5 0.927536
58 UD0 0.484848 0.846154
59 PUP 0.480392 0.887324
60 UML 0.478571 0.858974
61 U2P 0.476744 0.926471
62 CXY 0.471154 0.916667
63 GKE 0.463636 0.8
64 GDD 0.463636 0.8
65 GDC 0.463636 0.8
66 A U 0.461538 0.831169
67 CTP 0.447917 0.888889
68 CDP 0.446809 0.888889
69 ADQ 0.443396 0.828947
70 DKX 0.44186 0.774648
71 U2S 0.43956 0.77027
72 UMF 0.438202 0.833333
73 U4S 0.433333 0.733333
74 DUT 0.43299 0.861111
75 U3S 0.423913 0.756757
76 5GW 0.421569 0.915493
77 DUD 0.421053 0.861111
78 5FU 0.417582 0.863014
79 C2G 0.417476 0.902778
80 UPA 0.416667 0.868421
81 U1S 0.415842 0.776316
82 2TU 0.411765 0.777778
83 UTP U U U 0.409524 0.897059
84 139 0.406504 0.835443
85 APU 0.401639 0.831169
Ligand no: 2; Ligand: UDP; Similar ligands found: 103
No: Ligand ECFP6 Tc MDL keys Tc
1 UDP 1 1
2 UTP 0.892308 1
3 UNP 0.8 0.970149
4 U 0.78125 0.984615
5 U5P 0.78125 0.984615
6 UPU 0.72973 0.940298
7 2KH 0.722222 0.970149
8 44P 0.720588 0.955882
9 GUD 0.717949 0.941176
10 UFM 0.717949 0.941176
11 GDU 0.717949 0.941176
12 UPG 0.717949 0.941176
13 UDP UDP 0.714286 0.939394
14 UPP 0.705128 0.941176
15 UDH 0.705128 0.864865
16 UPF 0.691358 0.888889
17 U2F 0.691358 0.888889
18 UFG 0.691358 0.888889
19 UDX 0.670732 0.941176
20 UAD 0.670732 0.941176
21 USQ 0.654762 0.820513
22 UGB 0.654762 0.955224
23 UGA 0.654762 0.955224
24 UDM 0.636364 0.914286
25 URI 0.625 0.863636
26 UD1 0.622222 0.927536
27 UD2 0.622222 0.927536
28 UDP GAL 0.611765 0.913043
29 CDP 0.605263 0.942029
30 HP7 0.591398 0.941176
31 UD7 0.591398 0.927536
32 MJZ 0.585106 0.914286
33 IUG 0.583333 0.810127
34 12V 0.578947 0.901408
35 UD4 0.578947 0.914286
36 HWU 0.578947 0.901408
37 CJB 0.573529 0.820895
38 DUD 0.571429 0.913043
39 UDZ 0.571429 0.853333
40 UP5 0.571429 0.853333
41 U U 0.563218 0.955224
42 EPZ 0.56 0.914286
43 5GW 0.559524 0.942029
44 EPU 0.554455 0.901408
45 EEB 0.554455 0.901408
46 UA3 0.547945 0.939394
47 U3P 0.547945 0.939394
48 4TC 0.544554 0.831169
49 CTP 0.54321 0.942029
50 CSQ 0.531915 0.851351
51 CSV 0.531915 0.851351
52 DUT 0.52439 0.913043
53 4GW 0.516484 0.915493
54 UMA 0.513761 0.914286
55 U4S 0.513158 0.753425
56 U2P 0.506667 0.954545
57 U2S 0.5 0.767123
58 U3S 0.5 0.753425
59 PUP 0.48913 0.913043
60 U21 0.486957 0.810127
61 U20 0.486957 0.810127
62 U22 0.486957 0.790123
63 DKX 0.486486 0.746479
64 U1S 0.482759 0.75
65 A U 0.481132 0.805195
66 2QR 0.478632 0.822785
67 5FU 0.474359 0.914286
68 8OD 0.47191 0.851351
69 C5G 0.468085 0.888889
70 UMF 0.461538 0.857143
71 UTP U U U 0.456522 0.895522
72 2TU 0.452055 0.774648
73 C2G 0.450549 0.901408
74 CAR 0.45 0.927536
75 C 0.45 0.927536
76 UMP 0.45 0.898551
77 DU 0.45 0.898551
78 C5P 0.45 0.927536
79 UAG 0.448 0.864865
80 CDC 0.446809 0.777778
81 UD0 0.444444 0.844156
82 5BU 0.444444 0.914286
83 N3E 0.440476 0.733333
84 UC5 0.440476 0.9
85 DUP 0.431818 0.887324
86 2GW 0.431373 0.901408
87 M7G 0.430108 0.780488
88 CNU 0.428571 0.927536
89 CDM 0.427083 0.842105
90 16B 0.421687 0.888889
91 S5P 0.419753 0.915493
92 8GT 0.419355 0.855263
93 CXY 0.418367 0.888889
94 UPA 0.418182 0.842105
95 CDP MG 0.413793 0.849315
96 U2G 0.410714 0.822785
97 UML 0.408759 0.810127
98 UP6 0.407407 0.871429
99 M7M 0.40625 0.771084
100 PMP UD1 0.404762 0.794872
101 1GW 0.40367 0.864865
102 BMP 0.402439 0.970149
103 APU 0.401786 0.828947
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YRO; Ligand: GDU; Similar sites found: 19
This union binding pocket(no: 1) in the query (biounit: 1yro.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 4M4K XYP XYP 5.525e-12 0.59113
2 4M4K GDU 5.525e-12 0.59113
3 1LL2 UPG 0.002213 0.43869
4 4D0Z HWU 0.0001267 0.42392
5 4D0Z HWU 6.145e-05 0.42337
6 4D0Z HWU 8.449e-05 0.42269
7 4AG5 ADP 0.02796 0.42013
8 1GA8 UPF 0.003453 0.41782
9 2J5V PCA 0.04604 0.41631
10 4AG5 ADP 0.03891 0.41182
11 1JI0 ATP 0.03749 0.41177
12 2CBZ ATP 0.04061 0.41096
13 4D0Z HWU 0.0001797 0.40868
14 4PQG NAG 0.03147 0.40822
15 4PQG NAG 0.03147 0.40822
16 2VOH CIT 0.02492 0.40706
17 4IRP UDP 1.753e-08 0.40393
18 4IRP UDP 1.753e-08 0.40393
19 1D8C GLV 0.03225 0.40321
Pocket No.: 2; Query (leader) PDB : 1YRO; Ligand: UDP; Similar sites found: 171
This union binding pocket(no: 2) in the query (biounit: 1yro.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3WQT ANP 0.0005061 0.49986
2 3WQT ANP 0.0008233 0.48886
3 3D91 REM 0.005647 0.48129
4 3D91 REM 0.01511 0.48129
5 3WQT ANP 0.001119 0.47928
6 3AAQ ARU 0.004097 0.47557
7 2YAB AMP 0.0008809 0.47416
8 2YHW BM3 0.002394 0.47242
9 4C12 UML 0.006376 0.46112
10 4C12 ADP 0.0137 0.46112
11 3LQ8 88Z 0.006309 0.4584
12 3G5S FAD 0.007784 0.4535
13 3D91 REM 0.01285 0.4526
14 2RFN AM7 0.00414 0.45119
15 4BKJ STI 0.002906 0.45074
16 4BKJ STI 0.003514 0.44901
17 4A59 AMP 0.003607 0.44893
18 3OZ2 OZ2 0.01116 0.44604
19 1PS9 FAD 0.01019 0.44557
20 3EFK MT4 0.005546 0.44287
21 2YCH ATP 0.00342 0.44081
22 1OSV CHC 0.00441 0.43964
23 3HKW IX6 0.01423 0.43902
24 4A2A ATP 0.007781 0.43655
25 3UYT 0CK 0.008991 0.43313
26 1Q8Y ADP 0.01002 0.43291
27 4G31 0WH 0.008049 0.43133
28 4IWD 1JC 0.01308 0.43117
29 4KBC 1QJ 0.006467 0.43103
30 4KBC 1QJ 0.006467 0.43103
31 2XZI KDM 0.00754 0.42923
32 1PG4 PRX 0.01888 0.42863
33 1PG4 COA 0.01888 0.42863
34 3HKW IX6 0.02936 0.42785
35 3BQC EMO 0.01256 0.42598
36 1F76 ORO 0.004087 0.42578
37 4A2A ATP 0.01107 0.42551
38 3L2B B4P 0.01594 0.42432
39 3CGB FAD 0.02877 0.42361
40 4EUE NAI 0.0278 0.42328
41 3I0O ADP 0.009886 0.42281
42 3I0O ADP 0.009886 0.42281
43 1OSV CHC 0.00826 0.42279
44 4A2B AGS 0.009187 0.42145
45 3UIM ANP 0.01091 0.42143
46 4KBC 1QJ 0.008976 0.42132
47 4A62 ANP 0.01525 0.42111
48 1A59 COA 0.009161 0.42041
49 4LFI GNP 0.01608 0.42034
50 3EFK MT4 0.01262 0.42023
51 3EFK MT4 0.01262 0.42023
52 2ZB3 NDP 0.03043 0.4198
53 2ZB3 NDP 0.03043 0.4198
54 4A62 ANP 0.01686 0.41941
55 1E8C UAG API 0.02758 0.41925
56 4CKU P2F 0.0269 0.41832
57 4FE2 ADP 0.01036 0.41826
58 4JNA FAD 0.04284 0.41747
59 2B9W FAD 0.04538 0.41741
60 4P7X AKG 0.01488 0.41719
61 4P7X YCP 0.01488 0.41719
62 3BE2 RAJ 0.01482 0.41683
63 2P54 735 0.03026 0.4166
64 4M20 COA 0.02008 0.4165
65 2OO8 RAJ 0.01183 0.41594
66 1M13 HYF 0.01796 0.41571
67 4QPM ADP 0.01236 0.41533
68 4KBA 1QM 0.01386 0.41522
69 4TWC 37J 0.01333 0.41522
70 4KBA 1QM 0.01386 0.41522
71 4KBA 1QM 0.01342 0.41516
72 3NTA FAD 0.03951 0.41515
73 1GR0 NAD 0.02648 0.41508
74 1MOQ GLP 0.0235 0.41495
75 3Q60 ATP 0.01248 0.41413
76 1XCL SAH 0.04983 0.41406
77 4NWM 2P5 0.007875 0.41381
78 1LSZ NDG NAG NAG NAG 0.01308 0.4135
79 1Q19 APC 0.02419 0.41345
80 1PA9 CSN 0.007776 0.41337
81 4JNE ATP 0.02095 0.41296
82 4TWC 37J 0.01954 0.41279
83 4CQE CQE 0.02022 0.41183
84 4MWH ATP 0.01998 0.4117
85 4MWH ATP 0.01998 0.4117
86 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.03833 0.41158
87 2JDR L20 0.03833 0.41158
88 3E7O 35F 0.02569 0.41146
89 3EF2 FUC GAL GLA 0.01367 0.41124
90 3BI6 396 0.01444 0.41094
91 3UZP 0CK 0.01718 0.41081
92 3UZP 0CK 0.01718 0.41081
93 3ZYR ASN NAG NAG BMA MAN MAN NAG NAG 0.01672 0.40947
94 3LDP 3P1 0.02015 0.40945
95 4BGB ADP 0.02539 0.40936
96 3W7T BMA 0.01642 0.40903
97 2NXW TPP 0.0213 0.40892
98 2NXW TPP 0.0213 0.40892
99 2GQS ADP 0.0139 0.40841
100 4TW9 386 0.01665 0.40828
101 2NVA PL2 0.02901 0.40828
102 4B9Q ATP 0.01979 0.40783
103 3EF2 FUC GAL GLA 0.01529 0.40779
104 4DJA FAD 0.04448 0.4077
105 4QPM ADP 0.01722 0.4076
106 4ORK GDP 0.01966 0.40736
107 3WXL ADP 0.01065 0.40732
108 1IOW PHY 0.03901 0.40728
109 1IOW ADP 0.03901 0.40728
110 1N4H REA 0.02637 0.40701
111 3QKT ANP 0.02682 0.40701
112 4OH4 ANP 0.0255 0.40696
113 3VGL ANP 0.02226 0.40682
114 2Y6O 1N1 0.02045 0.4068
115 2C0U FAD NBT 0.03841 0.40668
116 4JEM C5P 0.02829 0.40664
117 3AT4 CCK 0.03243 0.40661
118 4B9Q ATP 0.01932 0.40655
119 3QKT ANP 0.02781 0.40653
120 4EHU ANP 0.02604 0.40642
121 4PMP 31W 0.022 0.4063
122 2NVA PL2 0.03179 0.40598
123 4L4J NAG NAG BMA MAN NAG 0.003779 0.40595
124 4D0Z HWU 0.04035 0.4059
125 2R5T ANP 0.02668 0.40587
126 2NVA PL2 0.03142 0.40587
127 2R5T ANP 0.02837 0.40587
128 2R5T ANP 0.02668 0.40587
129 2E2P ADP 0.02884 0.40555
130 2VBF TPP 0.03211 0.40548
131 3VSV XYP 0.01662 0.40521
132 2NVA PL2 0.03236 0.40517
133 4ORK GDP 0.01962 0.40515
134 4RHP PEF 0.0169 0.40514
135 3E0M SER HIS MET ALA GLU ILE 0.01425 0.40492
136 4DRX GTP 0.02567 0.40477
137 1LUA NAP 0.02801 0.40468
138 4MWV BCZ 0.01901 0.40461
139 4BCM T7Z 0.01117 0.40427
140 1TQP ATP 0.02251 0.40383
141 4OH4 ANP 0.03122 0.40348
142 4LNU GTP 0.02439 0.40305
143 3BRB ADP 0.0151 0.40303
144 3SUD SUE 0.0293 0.40279
145 1NRL SRL 0.02536 0.40258
146 1NRL SRL 0.02536 0.40258
147 2C0U FAD NBT 0.04257 0.40254
148 4BCM T7Z 0.02487 0.40234
149 2XVD AS6 0.03298 0.40232
150 3W7T BMA 0.02514 0.40213
151 4CZG ADP 0.04553 0.40178
152 4CZG QH3 0.04725 0.40178
153 4CQE CQE 0.02627 0.40175
154 2Q09 DI6 0.01625 0.40158
155 2Q09 DI6 0.01625 0.40158
156 3WHB DCC 0.04262 0.40148
157 3A7H ATP 0.02693 0.40133
158 3A7H ATP 0.02693 0.40133
159 3EWK FAD 0.03306 0.40098
160 2Y6Q FAD 0.04279 0.40094
161 3R1V AZB 0.03401 0.40076
162 3FG2 FAD 0.04862 0.40058
163 2X4Z X4Z 0.04469 0.40052
164 3EBL GA4 0.03699 0.4005
165 2Y6Q FAD 0.0438 0.40036
166 3SUD SUE 0.0291 0.40034
167 1NRL SRL 0.02563 0.40015
168 3EBL GA4 0.03854 0.40012
169 3EBL GA4 0.03854 0.40012
170 2GQR ADP 0.01499 0.40009
171 2F9L GDP 0.03261 0.40005
Pocket No.: 3; Query (leader) PDB : 1YRO; Ligand: UDP; Similar sites found: 169
This union binding pocket(no: 3) in the query (biounit: 1yro.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3WQT ANP 0.000471 0.50843
2 3WQT ANP 0.0006496 0.49678
3 3D91 REM 0.00989 0.49525
4 3D91 REM 0.00359 0.49525
5 3WQT ANP 0.000854 0.48887
6 3AAQ ARU 0.003137 0.48389
7 3D91 REM 0.007518 0.46782
8 2YHW BM3 0.002622 0.46742
9 4C12 ADP 0.01161 0.46709
10 4C12 UML 0.005356 0.46709
11 2XMY CDK 0.006921 0.46139
12 4A59 AMP 0.002446 0.4603
13 3LQ8 88Z 0.009925 0.45353
14 3G5S FAD 0.008139 0.45136
15 3OZ2 OZ2 0.008831 0.45119
16 2RFN AM7 0.004336 0.45022
17 2RFN AM7 0.004657 0.44941
18 1OSV CHC 0.003397 0.44895
19 3CH6 311 0.01535 0.44797
20 3CH6 NAP 0.01535 0.44797
21 2YCH ATP 0.002959 0.44746
22 4A2A ATP 0.005793 0.44589
23 1PS9 FAD 0.01112 0.44351
24 3THB 3TA 0.01037 0.4424
25 3THB 3TA 0.01037 0.4424
26 2XZI KDM 0.005071 0.44071
27 1F76 ORO 0.002569 0.43954
28 1DMR PGD 0.01976 0.43579
29 3HKW IX6 0.01605 0.43521
30 4A2A ATP 0.008247 0.43459
31 1Q8Y ADP 0.009435 0.43441
32 1A59 COA 0.005715 0.4344
33 3BQC EMO 0.009942 0.43364
34 3EFK MT4 0.008144 0.43314
35 3EFK MT4 0.009492 0.43222
36 3EFK MT4 0.009492 0.43222
37 4FE2 ADP 0.00612 0.4316
38 3UYT 0CK 0.009676 0.43095
39 1E8C UAG API 0.01992 0.43015
40 4OYB 1VJ 0.03869 0.42957
41 4OYB 1VJ 0.03869 0.42957
42 1OSV CHC 0.007066 0.42893
43 3HKW IX6 0.02907 0.42776
44 4KBC 1QJ 0.007393 0.42774
45 4KBC 1QJ 0.007393 0.42774
46 4BKJ STI 0.007164 0.42765
47 1PG4 COA 0.02295 0.42626
48 1PG4 PRX 0.02295 0.42626
49 4CKU P2F 0.03356 0.42517
50 4A62 ANP 0.01353 0.42511
51 4A62 ANP 0.01439 0.42494
52 3EWC MCF 0.01189 0.42463
53 2ZB3 NDP 0.02684 0.42427
54 2ZB3 NDP 0.02684 0.42427
55 4IWD 1JC 0.01738 0.42426
56 4LFI GNP 0.01282 0.42421
57 1P7L SAM 0.01915 0.42415
58 4JNE ATP 0.01619 0.42093
59 1PA9 CSN 0.006269 0.42085
60 3Q60 ATP 0.01016 0.42077
61 1P7L PPK 0.02101 0.42062
62 3UZP 0CK 0.01269 0.42055
63 3UZP 0CK 0.01269 0.42055
64 4A2B AGS 0.009613 0.42049
65 4EUE NAI 0.03222 0.41986
66 3LDP 3P1 0.01401 0.41982
67 4MWH ATP 0.01474 0.41961
68 4MWH ATP 0.01474 0.41961
69 4EQC XR1 0.02251 0.41932
70 4P7X YCP 0.01447 0.41913
71 4P7X AKG 0.01447 0.41913
72 3W7T BMA 0.01032 0.41836
73 1MOQ GLP 0.02069 0.41799
74 4KBC 1QJ 0.01034 0.41786
75 3I0O ADP 0.01167 0.41763
76 3I0O ADP 0.01167 0.41763
77 4M20 COA 0.02012 0.41706
78 4G31 0WH 0.01542 0.41691
79 4B9Q ATP 0.01491 0.41659
80 4BFM ANP 0.009466 0.41643
81 1M13 HYF 0.01935 0.41618
82 4B9Q ATP 0.01448 0.41543
83 3L2B B4P 0.02023 0.41524
84 2GQS ADP 0.01113 0.41522
85 3UIM ANP 0.01511 0.41479
86 4KBA 1QM 0.01296 0.41465
87 3CGB FAD 0.04065 0.41444
88 3WXL ADP 0.008524 0.41412
89 4ORK GDP 0.01611 0.41382
90 4ORK GDP 0.01492 0.41359
91 4EHU ANP 0.02139 0.4126
92 4TWC 37J 0.01929 0.41214
93 3TDH AMP 0.01256 0.4119
94 4O2B GTP 0.04437 0.41161
95 4O2B LOC 0.04883 0.41161
96 3AT4 CCK 0.02557 0.41145
97 4L4J NAG NAG BMA MAN NAG 0.003058 0.4114
98 2R5T ANP 0.02423 0.41053
99 2R5T ANP 0.02278 0.41053
100 2R5T ANP 0.02278 0.41053
101 4FHD EEM 0.02167 0.41033
102 4FHD 0TT 0.02167 0.41033
103 4CZG QH3 0.02486 0.41022
104 4CZG ADP 0.0239 0.41022
105 4KBA 1QM 0.01839 0.40998
106 7HVP ACE SER LEU ASN JG3 ILE VME 0.03638 0.40985
107 1TQP ATP 0.01953 0.40982
108 1IOW PHY 0.03639 0.40952
109 1IOW ADP 0.03639 0.40952
110 4DJA FAD 0.0416 0.40912
111 4LNU GTP 0.02046 0.40877
112 2E2P ADP 0.02591 0.40851
113 4OH4 ANP 0.02544 0.40824
114 4JAL SAH 0.02391 0.40776
115 3C1X CKK 0.0298 0.40739
116 2QCS ANP 0.03276 0.40731
117 2GQR ADP 0.01157 0.40712
118 4KBA 1QM 0.01894 0.40701
119 4KBA 1QM 0.01894 0.40701
120 4BGB ADP 0.02753 0.40693
121 1LUA NAP 0.02596 0.40685
122 4CQE CQE 0.02421 0.40669
123 3LDP 3P1 0.02005 0.40604
124 3VGL ANP 0.0229 0.40591
125 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.04643 0.40583
126 2JDR L20 0.04643 0.40583
127 3EF2 FUC GAL GLA 0.01631 0.40542
128 1NVM NAD 0.02978 0.40539
129 2UZH IPE 0.01373 0.40537
130 4LRJ ANP 0.02262 0.40509
131 3E0M SER HIS MET ALA GLU ILE 0.01433 0.40504
132 2A40 ATP 0.02869 0.40502
133 2A40 ATP 0.02869 0.40502
134 4QPM ADP 0.0164 0.405
135 2QWO ADP 0.02249 0.40494
136 1USR DAN 0.02373 0.40412
137 4BCM T7Z 0.01538 0.40392
138 3FG2 FAD 0.04513 0.40386
139 4NWM 2P5 0.01175 0.40386
140 3SUD SUE 0.02179 0.40381
141 4OH4 ANP 0.03192 0.4037
142 2F9L GDP 0.02861 0.40364
143 4PKG ATP 0.03043 0.40335
144 2A42 ATP 0.03024 0.40326
145 3SUD SUE 0.02724 0.40296
146 4TW9 386 0.02035 0.40294
147 4J1P 1K0 0.01422 0.40294
148 3E7O 35F 0.0351 0.40291
149 4TWC 37J 0.02512 0.40285
150 1Q19 APC 0.03403 0.40282
151 4KBA 1QM 0.01979 0.40277
152 2J83 BAT 0.01817 0.40264
153 3SJH LAR 0.04692 0.40261
154 3SJH ATP 0.03253 0.40261
155 3ZYR NAG NAG BMA MAN MAN NAG NAG 0.02448 0.40218
156 3EF2 FUC GAL GLA 0.01822 0.40204
157 2WCV FUC 0.01692 0.4017
158 4JQE ANP 0.02305 0.40155
159 3VHE 42Q 0.04703 0.4014
160 3GL0 HXX 0.01916 0.40137
161 1V08 NTZ 0.01467 0.40128
162 2WU6 DKI 0.04357 0.40127
163 2V52 ATP 0.035 0.40091
164 4B1Y ATP 0.03664 0.40081
165 1YZN GNP 0.03594 0.40058
166 4PMP 31W 0.02892 0.40045
167 2A3Z ATP 0.03315 0.40042
168 3QKT ANP 0.0345 0.40018
169 4JEM C5P 0.03515 0.40002
Pocket No.: 4; Query (leader) PDB : 1YRO; Ligand: GDU; Similar sites found: 25
This union binding pocket(no: 4) in the query (biounit: 1yro.bio2) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 4M4K XYP XYP 1.426e-11 0.57299
2 4M4K GDU 1.426e-11 0.57299
3 2OVW CBI 0.006996 0.44772
4 1LL2 UPG 0.002487 0.43758
5 4COQ SAN 0.02208 0.42931
6 2VOH CIT 0.01691 0.42836
7 4D0Z HWU 7.271e-05 0.42759
8 4D0Z HWU 4.62e-05 0.42639
9 4D0Z HWU 3.599e-05 0.42595
10 4AG5 ADP 0.0243 0.4246
11 1JI0 ATP 0.02285 0.42455
12 1GA8 UPF 0.003254 0.42001
13 4AG5 ADP 0.03027 0.41904
14 1D8C GLV 0.02589 0.4181
15 2J5V PCA 0.04796 0.41669
16 2CBZ ATP 0.03625 0.4145
17 4IRP UDP 2.375e-09 0.41445
18 4IRP UDP 2.375e-09 0.41445
19 1GXU 2HP 0.04952 0.41143
20 4D0Z HWU 0.0001157 0.41105
21 3B9Q MLI 0.02514 0.40916
22 3VMG 9CA 0.02746 0.40871
23 4IRP UDP 1.036e-08 0.40825
24 1HPG BOC ALA ALA PRO GLU 0.0361 0.40262
25 4TX6 38B 0.04332 0.40189
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