Receptor
PDB id Resolution Class Description Source Keywords
4QRH 1.65 Å EC: 2.7.4.8 MOLECULAR MECHANISM AND EVOLUTION OF GUANYLATE KINASE REGULA (P)PPGPP STAPHYLOCOCCUS AUREUS USA300-ISMMS1 GUANYLATE KINASE PHOSPHOTRANSFERASE PPPGPP TRANSFERASE
Ref.: MOLECULAR MECHANISM AND EVOLUTION OF GUANYLATE KINA REGULATION BY (P)PPGPP. MOL.CELL V. 57 735 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
K C:302;
D:302;
B:302;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
39.098 K [K+]
0O2 C:304;
D:306;
B:303;
Valid;
Valid;
Valid;
none;
none;
none;
Ki = 7 uM
683.14 C10 H18 N5 O20 P5 c1nc2...
MG C:301;
B:301;
D:301;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
EDO D:305;
D:303;
D:304;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SO4 C:303;
A:301;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4QRH 1.65 Å EC: 2.7.4.8 MOLECULAR MECHANISM AND EVOLUTION OF GUANYLATE KINASE REGULA (P)PPGPP STAPHYLOCOCCUS AUREUS USA300-ISMMS1 GUANYLATE KINASE PHOSPHOTRANSFERASE PPPGPP TRANSFERASE
Ref.: MOLECULAR MECHANISM AND EVOLUTION OF GUANYLATE KINA REGULATION BY (P)PPGPP. MOL.CELL V. 57 735 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4QRH Ki = 7 uM 0O2 C10 H18 N5 O20 P5 c1nc2c(n1[....
2 2J41 - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4QRH Ki = 7 uM 0O2 C10 H18 N5 O20 P5 c1nc2c(n1[....
2 2J41 - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1EX7 - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
2 1GKY - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
3 2F3R ic50 = 0.5 uM G5P C20 H29 N10 O23 P5 c1nc(c2c(n....
4 2AN9 - GMP C10 H13 N5 O5 c1nc2c(n1[....
5 1LVG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 1ZNY - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 1ZNX - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
8 1ZNZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 4QRH Ki = 7 uM 0O2 C10 H18 N5 O20 P5 c1nc2c(n1[....
10 2J41 - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0O2; Similar ligands found: 103
No: Ligand ECFP6 Tc MDL keys Tc
1 0O2 1 1
2 G4P 0.905882 1
3 G3D 0.797753 1
4 GTP 0.736264 0.986486
5 GP3 0.673913 0.960526
6 GDP 0.666667 0.986486
7 GSP 0.666667 0.935897
8 3GP 0.644444 0.959459
9 GH3 0.642857 0.986486
10 GNH 0.625 0.973333
11 DGT 0.622449 0.935065
12 GAV 0.62 0.948052
13 GNP 0.616162 0.960526
14 G1R 0.606061 0.973333
15 G G 0.605769 0.922078
16 GDC 0.603774 0.948052
17 GDD 0.603774 0.948052
18 GKE 0.603774 0.948052
19 G 0.595745 0.972973
20 5GP 0.595745 0.972973
21 GCP 0.59 0.960526
22 BGO 0.587719 0.935897
23 GPG 0.580952 0.948052
24 6CK 0.577982 0.924051
25 G5P 0.572727 0.960526
26 G2R 0.571429 0.948052
27 GTG 0.568807 0.924051
28 GFB 0.568807 0.948052
29 GDR 0.568807 0.948052
30 G2P 0.568627 0.948052
31 GMV 0.564356 0.960526
32 G3A 0.563636 0.960526
33 GPD 0.5625 0.9125
34 GMP 0.561798 0.866667
35 GDP MG 0.554455 0.910256
36 G G U 0.553571 0.947368
37 GKD 0.553571 0.948052
38 JB2 0.553571 0.948052
39 DGI 0.55 0.935065
40 GP2 0.55 0.948052
41 GDP BEF 0.54902 0.8875
42 GDX 0.548673 0.960526
43 GGM 0.546219 0.9125
44 Y9Z 0.545455 0.890244
45 GCP G 0.542857 0.922078
46 2GP 0.541667 0.972973
47 CG2 0.537815 0.924051
48 GPX 0.537736 0.959459
49 ALF 5GP 0.533981 0.876543
50 BEF GDP 0.533333 0.876543
51 GTP MG 0.533333 0.910256
52 G A A A 0.528926 0.910256
53 JB3 0.525424 0.935897
54 U2G 0.521008 0.924051
55 G C 0.520661 0.8875
56 GDP AF3 0.518519 0.876543
57 GDP ALF 0.518519 0.876543
58 U A G G 0.512195 0.922078
59 YGP 0.508929 0.888889
60 NGD 0.508333 0.948052
61 G G G RPC 0.508197 0.886076
62 CAG 0.508065 0.869048
63 APC G U 0.504 0.897436
64 TPG 0.496124 0.829545
65 G G G C 0.496063 0.9
66 2MD 0.495935 0.879518
67 A G C C 0.492188 0.898734
68 G1G 0.488189 0.9125
69 MGD 0.484127 0.879518
70 GPC 0.484127 0.86747
71 FEG 0.483607 0.86747
72 ZGP 0.479675 0.857143
73 GDP 7MG 0.478632 0.898734
74 G C C C 0.477273 0.911392
75 DG 0.475248 0.922078
76 DGP 0.475248 0.922078
77 DBG 0.473282 0.935897
78 P2G 0.470588 0.894737
79 G U34 0.467742 0.876543
80 MGP 0.46729 0.948052
81 6G0 0.462963 0.948052
82 P1G 0.461538 0.883117
83 PGD 0.458015 0.9125
84 MD1 0.458015 0.879518
85 A G U 0.457143 0.876543
86 U G A 0.453901 0.876543
87 G4M 0.45 0.869048
88 UCG 0.447761 0.923077
89 I2C FE2 CMO CMO 0.435115 0.797753
90 01G 0.432203 0.890244
91 DG DG 0.431034 0.876543
92 PAP 0.429907 0.918919
93 CGP 0.429688 0.878049
94 FE9 0.428571 0.765957
95 IDP 0.416667 0.959459
96 PGD O 0.416058 0.83908
97 SGP 0.415094 0.8375
98 G1R G1R 0.408759 0.911392
99 DC DG 0.40458 0.855422
100 AGO 0.401515 0.9
101 C2E 0.4 0.933333
102 35G 0.4 0.945946
103 PCG 0.4 0.945946
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4QRH; Ligand: 0O2; Similar sites found: 328
This union binding pocket(no: 1) in the query (biounit: 4qrh.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WV6 GAL GLC 0.002383 0.43898 None
2 5DG2 GAL GLC 0.002342 0.43637 None
3 1A4R GNH 0.001628 0.43347 None
4 3BOS CDP 0.004244 0.43179 None
5 2D6M LBT 0.005424 0.43115 None
6 1A4R GDP 0.001887 0.42665 None
7 3WH2 FLC 0.0116 0.42475 None
8 4DID GDP 0.005787 0.42086 None
9 3WV6 GAL BGC 0.008301 0.41928 None
10 2IYL GDP 0.007873 0.41875 None
11 1I7A PHE 0.02629 0.4092 None
12 4DKX GDP 0.00304 0.43882 0.925926
13 2G30 ALA ALA PHE 0.02576 0.41083 0.952381
14 4U5X GNP 0.0027 0.41993 1.1236
15 1F9V ADP 0.0005313 0.49305 1.42857
16 2PL3 ADP 0.0005967 0.47899 1.42857
17 3DKP ADP 0.0008859 0.46478 1.42857
18 2WIC GNP 0.005396 0.4223 1.42857
19 4WEI GLC GAL 0.03261 0.40349 1.42857
20 1OE0 TTP 0.0004459 0.45898 1.90476
21 4R43 GDP 0.006675 0.42223 1.90476
22 4BAS GNP 0.00508 0.40645 2.01005
23 1FZQ GDP 0.004584 0.43016 2.20994
24 3T5G GDP 0.006155 0.4155 2.20994
25 1YZG GDP 0.006007 0.4201 2.23464
26 4AG5 ADP 0.0005941 0.49106 2.38095
27 1V8K ANP 0.001783 0.45006 2.38095
28 2J0V GDP 0.004926 0.42418 2.38095
29 5FTB ANP 0.00406 0.42386 2.38095
30 4ZNL BEF ADP 0.007091 0.41668 2.38095
31 1FP6 ADP 0.008738 0.40472 2.38095
32 3N5C GDP 0.003871 0.43373 2.46914
33 4KAX GTP 0.003761 0.40321 2.48447
34 1F6B GDP 0.007103 0.41665 2.52525
35 5NCF 8T5 0.02703 0.4005 2.65487
36 2XT3 ADP 0.0002221 0.5176 2.85714
37 1SQ5 ADP 0.0006546 0.46566 2.85714
38 2NGR AF3 0.002508 0.45346 2.85714
39 3CNL GNP 0.003092 0.44346 2.85714
40 2NGR GDP 0.003621 0.43051 2.85714
41 2ZE7 DST 0.002122 0.42952 2.85714
42 4J0Q GDP 0.006008 0.4291 2.85714
43 5JCP GDP ALF 0.002541 0.42493 2.85714
44 5EPA AKG 0.01271 0.41738 2.85714
45 5GOE GDP 0.006916 0.41315 2.85714
46 2ZE7 AMP 0.007857 0.40325 2.85714
47 1GRN AF3 0.002516 0.45339 2.95567
48 3PCR GTP 0.002224 0.40675 3.08642
49 3M3E GAL A2G NPO 0.01882 0.40172 3.10559
50 2A5F GTP 0.0007072 0.4183 3.10881
51 2X77 GDP 0.007441 0.41569 3.1746
52 5TB5 GDP 0.0006816 0.45967 3.24324
53 5TAR GDP 0.0008433 0.45062 3.24324
54 3DC4 ADP 0.0001625 0.51413 3.33333
55 2ZFI ADP 0.002506 0.44289 3.33333
56 3ESS 18N 0.005322 0.44097 3.33333
57 2IS6 ADP 0.002821 0.4404 3.33333
58 1YRB GDP 0.001606 0.43799 3.33333
59 1KK1 GNP 0.004333 0.43617 3.33333
60 2JIG PD2 0.01613 0.40768 3.33333
61 5IRN ADP 0.007678 0.40727 3.33333
62 1WDT GTP 0.00644 0.40359 3.33333
63 2GCO GNP 0.00217 0.42795 3.48259
64 2GCN GDP 0.004618 0.40822 3.48259
65 4K81 GTP 0.0004171 0.40799 3.50877
66 1ZJ6 G3D 0.006857 0.41737 3.74332
67 5GVR LMR 0.0008065 0.4816 3.80952
68 2FSH ANP 0.0008632 0.47102 3.80952
69 5HCF BGC 0.01061 0.43542 3.80952
70 1DAR GDP 0.004495 0.43058 3.80952
71 1SKQ GDP 0.006184 0.42847 3.80952
72 4YS0 ADP 0.005074 0.41165 3.80952
73 3JZ0 CLY 0.01973 0.40336 3.80952
74 4E03 ADP 0.007895 0.41447 3.8835
75 2W83 GTP 0.0006788 0.426 3.8961
76 3MTX PGT 0.01301 0.40174 3.97351
77 2DT9 THR 0.01523 0.40893 4.19162
78 5BQ5 ADP BEF 0.003562 0.42649 4.2328
79 5GJC ATP 0.001169 0.45895 4.28571
80 3GJ4 GDP 0.002676 0.4415 4.28571
81 3GJ7 GDP 0.002772 0.44076 4.28571
82 3GJ0 GDP 0.002969 0.43932 4.28571
83 3GJ3 GDP 0.003185 0.43783 4.28571
84 1JWY ADP 0.002711 0.43646 4.28571
85 5XDR ADP 0.002736 0.43628 4.28571
86 4QOS ADP 0.003064 0.42951 4.28571
87 4KBF AMP 0.006278 0.42815 4.28571
88 3GJ5 GDP 0.004241 0.42726 4.28571
89 1IND EOT 0.01093 0.42435 4.28571
90 3A1S GDP 0.0084 0.41319 4.28571
91 2GK6 ADP 0.02842 0.40312 4.28571
92 4YVN EBS 0.02603 0.40274 4.28571
93 4WOP CTP 0.002439 0.41814 4.44444
94 5XCO GDP 0.003582 0.42225 4.67836
95 1XX6 ADP 0.005068 0.44256 4.71204
96 2A5J GDP 0.001711 0.44121 4.71204
97 2VDF OCT 0.001145 0.4823 4.7619
98 4KFU ACP 0.001487 0.47002 4.7619
99 3EWA ANP 0.001204 0.45832 4.7619
100 3ZFD ANP 0.0014 0.44523 4.7619
101 5MZN ADP 0.00366 0.44507 4.7619
102 1WQ1 AF3 0.005243 0.44252 4.7619
103 5HCN GCP 0.002501 0.43812 4.7619
104 1R6B ADP 0.002588 0.43742 4.7619
105 4A4Z ANP 0.004341 0.43131 4.7619
106 1U0J ADP 0.006563 0.42718 4.7619
107 4TTQ ATP 0.005422 0.42662 4.7619
108 2OG2 MLI 0.004344 0.42529 4.7619
109 4LYA ATP 0.005158 0.42324 4.7619
110 3B9Q MLI 0.01124 0.41686 4.7619
111 1VHT BA3 0.007175 0.41241 4.7619
112 2EFE GNH 0.007226 0.40846 4.7619
113 4M26 AKG 0.02322 0.40465 4.7619
114 5KUT GDP 0.001083 0.40069 4.7619
115 3W5J GDP 0.00104 0.48193 4.90196
116 2W58 ADP 0.00006048 0.55386 4.9505
117 2FJU GSP 0.003441 0.4118 5.05618
118 1HE1 AF3 0.002867 0.45049 5.11364
119 5NFB 8VT 0.01471 0.41935 5.11364
120 5E95 GDP 0.007325 0.40459 5.15464
121 1Z0A GDP 0.0002529 0.47955 5.17241
122 2CJW GDP 0.0012 0.45839 5.20833
123 1JJ7 ADP 0.00008202 0.54753 5.2381
124 5KSZ GCP 0.0003978 0.47047 5.2381
125 5KSP GDP 0.001653 0.44663 5.2381
126 4XSH GSP 0.002742 0.41964 5.2381
127 4PJ3 ANP 0.005794 0.4128 5.2381
128 3DEF GDP 0.006628 0.41016 5.2381
129 4P32 ADP 0.003768 0.40365 5.2381
130 1GWN GTP 0.002435 0.41817 5.36585
131 5UFQ GNP 0.001444 0.4199 5.42169
132 1NF3 GNP 0.0007856 0.41 5.46875
133 3VV1 GAL FUC 0.01326 0.41686 5.625
134 3PQC GDP 0.006241 0.41522 5.64103
135 3TK1 GDP 0.001053 0.47271 5.71429
136 2RCN GDP 0.0008526 0.46559 5.71429
137 3B5J 12D 0.001486 0.46507 5.71429
138 3B7G ANP 0.00295 0.43473 5.71429
139 3DZD ADP 0.003436 0.42307 5.71429
140 5EE5 GTP 0.001592 0.41824 5.71429
141 1G7S GDP 0.007287 0.41612 5.71429
142 1TQ4 GDP 0.005551 0.403 5.71429
143 1W0J ADP 0.009638 0.4028 5.71429
144 2HT6 GDP 0.0007419 0.47429 5.74713
145 1OIV GDP 0.001134 0.43966 5.75916
146 5F90 LMR 0.03262 0.4041 5.76923
147 2BME GNP 0.003575 0.41808 5.91398
148 1A78 TDG 0.009899 0.42371 5.97015
149 1M7B GTP 0.002107 0.42082 5.97826
150 5LY1 PPI 0.0007 0.45646 6.03675
151 5JCZ GDP 0.004858 0.40889 6.14525
152 2YMZ LAT 0.001425 0.45391 6.15385
153 1G6H ADP 0.00007445 0.55102 6.19048
154 2CBZ ATP 0.00006703 0.55008 6.19048
155 4U00 ADP 0.00007725 0.54732 6.19048
156 1T5C ADP 0.0003315 0.50907 6.19048
157 5TSH ADP 0.0006144 0.48959 6.19048
158 5TSH ANP 0.0004914 0.47718 6.19048
159 5CK5 GDP 0.0006784 0.47622 6.19048
160 4LC1 GDP 0.001207 0.45827 6.19048
161 5N69 ADP 0.000863 0.45016 6.19048
162 2QZ4 ADP 0.002523 0.43341 6.19048
163 2OBM ADP 0.01288 0.42449 6.19048
164 1NY5 ADP 0.002767 0.42329 6.19048
165 2Q2Y MKR 0.006146 0.42322 6.19048
166 2Q2Y ADP 0.00648 0.42322 6.19048
167 3E70 GDP 0.006903 0.41723 6.19048
168 4LX0 BEF GDP 0.001535 0.43563 6.21469
169 2W2X GSP 0.002018 0.42161 6.48649
170 3Q85 GNP 0.0006207 0.47227 6.50888
171 2VVG ADP 0.0001165 0.5358 6.66667
172 3NHB ADP 0.0002649 0.50922 6.66667
173 4WZ6 ATP 0.0003445 0.50302 6.66667
174 4PFO ADP 0.0001578 0.47672 6.66667
175 4ZG4 VO4 ADP 0.0002264 0.44486 6.66667
176 2QN6 GDP 0.003527 0.44062 6.66667
177 3Q9L ATP 0.006983 0.417 6.66667
178 5L3V GDP 0.005762 0.41682 6.66667
179 5M7P ADP 0.004822 0.40903 6.66667
180 4NON GDP 0.0134 0.40749 6.66667
181 4RD0 GDP 0.003841 0.40269 6.66667
182 1N4K I3P 0.02643 0.40267 6.66667
183 2VB6 ADP BEF 0.002971 0.40137 6.66667
184 1RYH GNP 0.0009891 0.4522 6.89655
185 3LRE ADP 0.0001167 0.53576 7.14286
186 2PZE ATP 0.0001596 0.5253 7.14286
187 3H4S ADP 0.0002305 0.5165 7.14286
188 3TBK ANP 0.0002095 0.50849 7.14286
189 2WHX ADP 0.0002908 0.50745 7.14286
190 5LB3 ADP 0.0003269 0.49198 7.14286
191 1JI0 ATP 0.0007643 0.47981 7.14286
192 3WY9 GDP 0.006938 0.42598 7.14286
193 1M7G ADP 0.003459 0.42327 7.14286
194 3WYA GDP 0.006901 0.42153 7.14286
195 2JLR ANP 0.003776 0.42121 7.14286
196 1PUJ GNP 0.004169 0.41927 7.14286
197 1M7G ADX 0.005452 0.4173 7.14286
198 4YC7 GNP 0.003809 0.41178 7.14286
199 3GJX GTP 0.006327 0.40886 7.14286
200 3KTA AP5 0.009861 0.40235 7.14286
201 3IIJ ADP 0.0004821 0.47758 7.22222
202 3UIE ANP 0.001826 0.4399 7.5
203 2AWN ADP 0.00001041 0.59982 7.61905
204 2D2F ADP 0.005418 0.44861 7.61905
205 1XKV ATP 0.001973 0.43835 7.61905
206 2HCJ GDP 0.004082 0.43746 7.61905
207 2C77 GNP 0.003402 0.41201 7.61905
208 2C78 GNP 0.003782 0.40306 7.61905
209 5DI3 GNP 0.003874 0.40256 7.61905
210 4M9Q GNP 0.004141 0.4014 7.61905
211 1BO4 COA 0.00879 0.41642 7.7381
212 1Z0F GDP 0.0006431 0.46602 7.82123
213 5BXQ GDP 0.004589 0.42564 7.87402
214 1MH1 GNP 0.0009413 0.40138 8.06452
215 5LTJ BEF 0.007596 0.43882 8.09524
216 5LTJ ADP 0.003021 0.43424 8.09524
217 1FQK ALF 0.01631 0.41503 8.09524
218 1Z6T ADP 0.00461 0.41349 8.09524
219 4TMK T5A 0.008525 0.41115 8.09524
220 1FQJ ALF 0.02053 0.40968 8.09524
221 1G4U AF3 0.003093 0.45503 8.15217
222 4QM7 GTP 0.0002389 0.49236 8.18713
223 5IRC GDP 0.007609 0.41123 8.45771
224 4PX9 ADP 0.00163 0.4573 8.57143
225 5FG3 GDP 0.004047 0.43765 8.57143
226 5M04 GDP 0.004247 0.4366 8.57143
227 2XAU ADP 0.00458 0.42144 8.57143
228 1DDU DDU 0.0102 0.41764 8.57143
229 1TDU DUR 0.01391 0.4109 8.57143
230 4R2I ANP 0.01737 0.41041 8.57143
231 4ISK UMP 0.01178 0.41023 8.57143
232 1SYN UMP 0.01305 0.4041 8.57143
233 5MVR ADP 0.002094 0.44667 8.64198
234 1Z0K GTP 0.003008 0.40041 8.72093
235 2ZR9 DTP 0.002641 0.44178 9.04762
236 1ZC3 GNP 0.005178 0.41265 9.14286
237 3IA4 MTX 0.01261 0.40106 9.25926
238 1UKZ ADP 0.00511 0.4211 9.35961
239 4PPF FLC 0.0001261 0.53567 9.52381
240 4YMU ATP 0.000336 0.49139 9.52381
241 1YQT ADP 0.0006952 0.48666 9.52381
242 5G41 AP5 0.0005271 0.47856 9.52381
243 4LPS GDP 0.001539 0.4481 9.52381
244 4MKF AP5 0.003001 0.43956 9.52381
245 5I0H ADP BEF 0.00122 0.43087 9.52381
246 4Z7X 3CX 0.01686 0.41395 9.52381
247 1U8Z GDP 0.003005 0.40043 9.52381
248 2WJG GDP 0.005906 0.42482 9.57447
249 1B7T ADP 0.006412 0.41467 9.61539
250 1J2J GTP 0.000808 0.42321 9.63855
251 1O3Y GTP 0.000812 0.42314 9.63855
252 2J59 GTP 0.0008878 0.42169 9.63855
253 1VG8 GNP 0.001841 0.4322 9.66184
254 1VG0 GDP 0.003926 0.42045 9.66184
255 3DOE GTP 0.0006916 0.42536 9.69697
256 5KEW 6SB 0.02423 0.4035 9.72222
257 1S9D GDP 0.005578 0.42162 9.7561
258 1Y63 ADP 0.002528 0.4427 9.78261
259 3REF GDP 0.004352 0.4006 9.79381
260 1GOJ ADP 0.00006022 0.55428 10
261 1OXV ANP 0.0003259 0.49205 10
262 2GDJ ANP 0.002422 0.44361 10
263 1UPT GTP 0.0004506 0.44081 10
264 1G3Q ADP 0.01588 0.40003 10
265 2A9K GDP 0.007959 0.40299 10.1604
266 3AQ4 GDP 0.003983 0.42855 10.3261
267 1MKY GDP 0.003334 0.43687 10.4762
268 4HI0 GDP 0.002976 0.41447 10.4762
269 2FAH GDP 0.01049 0.40114 10.4762
270 1JJV ATP 0.0004238 0.49926 10.6796
271 1KK8 BEF ADP 0.008076 0.40271 10.7914
272 1VG9 GDP 0.001958 0.44315 10.8108
273 3GJ8 GDP 0.004396 0.42653 10.8696
274 2EW1 GNP 0.001955 0.42597 10.9453
275 2BCG GDP 0.005488 0.4066 11.165
276 1SLT NDG GAL 0.006025 0.43854 11.194
277 3TKL GTP 0.001188 0.40919 11.2245
278 5H56 TYD 0.00182 0.437 11.2821
279 5H56 ADP 0.00182 0.437 11.2821
280 3BFV ADP 0.006909 0.4215 11.4286
281 5H9Q TD2 0.005463 0.43025 11.6129
282 1R4A GNP 0.0004794 0.42458 11.7647
283 3RAB GNP 0.003664 0.41762 11.8343
284 5L3W GDP 0.006779 0.41355 11.9048
285 3H86 AP5 0.006641 0.41721 11.9792
286 2G77 AF3 0.009187 0.42788 12.1212
287 2G77 GDP 0.006518 0.40684 12.1212
288 3SFV GDP 0.002364 0.41871 12.1547
289 4YDS ATP 0.0008669 0.47702 12.381
290 4D81 ADP 0.005257 0.41472 12.381
291 3NKV GNP 0.001392 0.42075 12.5714
292 1KAO GDP 0.007346 0.40454 12.5749
293 4LHW GNP 0.00141 0.40011 12.6437
294 1Z06 GNP 0.001431 0.40785 12.6984
295 1CXZ GSP 0.002965 0.40751 12.7907
296 4B47 GDP 0.005254 0.432 12.8571
297 5UWT GNP 0.004384 0.4158 12.8571
298 1I4D GDP 0.003944 0.4382 13.0208
299 3U6B GDP 0.003747 0.43931 13.3333
300 2VF7 ADP 0.003355 0.43208 13.3333
301 2BVN GNP 0.002236 0.4315 13.3333
302 5JBQ GDP 0.005693 0.42559 13.3333
303 1D8T GDP 0.006495 0.42281 13.3333
304 4G5G GDP 0.006676 0.42223 13.3333
305 3U6K GDP 0.008998 0.41593 13.3333
306 1S8F GDP 0.002175 0.43639 13.5593
307 3ZIA ATP 0.006228 0.41935 13.7681
308 4IEE AGS 0.00682 0.42635 13.8095
309 2C04 GCP 0.003446 0.41178 13.8095
310 3QF7 ANP 0.00719 0.40151 14
311 1W6P NDG GAL 0.03742 0.4018 14.1791
312 3WXM GTP 0.007997 0.40292 14.2857
313 1Y7P RIP 0.003438 0.42624 14.7619
314 4CVN ADP 0.0005258 0.4881 15.1832
315 4HSE ADP 0.00154 0.44809 15.7143
316 3A4M ADP 0.0002267 0.50675 16.6667
317 4DCT GDP 0.003324 0.43227 16.6667
318 3LXR GDP 0.009098 0.40763 16.6667
319 3EC1 GDP 0.01217 0.40554 17.619
320 2V7Q ADP 0.003275 0.43725 18.0952
321 2V7Q ATP 0.008058 0.41008 18.0952
322 2DPY ADP 0.002905 0.4502 18.5714
323 2JAQ DCP 0.0008903 0.42233 19.0244
324 1SVI GDP 0.002127 0.45155 22.5641
325 3IO3 ADP 0.0007185 0.41345 27.619
326 4BQS ADP 0.003331 0.43689 27.8409
327 5IRR GSP 0.005287 0.4039 28.5714
328 1JXM 5GP 0.0000001672 0.71908 42.381
Pocket No.: 2; Query (leader) PDB : 4QRH; Ligand: 0O2; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4qrh.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4QRH; Ligand: 0O2; Similar sites found: 28
This union binding pocket(no: 3) in the query (biounit: 4qrh.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1L8B MGP 0.0131 0.41687 None
2 1EJH M7G 0.01587 0.41469 None
3 3GD9 GLC BGC BGC BGC 0.004925 0.42228 2.85714
4 4XL8 MNA 0.01445 0.40877 2.87081
5 5KJW 53C 0.02296 0.40284 3.33333
6 1QKQ MAN 0.001738 0.4162 3.52113
7 3Q72 GNP 0.001417 0.40188 3.61446
8 1JL0 PUT 0.0082 0.41363 3.80952
9 4X5S AZM 0.01837 0.40361 4.28571
10 1UGW GAL 0.003759 0.44308 4.51128
11 1WS4 GYP 0.004216 0.43642 4.51128
12 1JAC AMG 0.005931 0.42765 4.51128
13 1WS4 AMG 0.008818 0.40734 4.51128
14 1UGY GLA BGC 0.008877 0.40535 4.51128
15 5OCA 9QZ 0.01999 0.41041 4.7619
16 4OR7 25U 0.0115 0.40893 5.45455
17 3ML5 AZM 0.02044 0.40675 5.71429
18 4D4U FUC NDG GAL FUC 0.027 0.40005 5.71429
19 1JG0 UMP 0.02377 0.40296 8.57143
20 2W9S TOP 0.0275 0.40042 9.31677
21 1VG1 GDP 0.001471 0.40196 10.8108
22 3T1O GDP 0.01187 0.40046 11.6162
23 4MLN ODV 0.02429 0.40118 11.7347
24 1OYY AGS 0.0112 0.40949 11.9048
25 1KY3 GDP 0.003622 0.40046 13.1868
26 4PC3 GDP 0.01205 0.40016 13.3333
27 3LQV ADE 0.02123 0.40395 14.7826
28 1GZW GAL BGC 0.03866 0.41211 18.6567
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