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Receptor
PDB id Resolution Class Description Source Keywords
1I1D 1.8 Å EC: 2.3.1.4 CRYSTAL STRUCTURE OF YEAST GNA1 BOUND TO COA AND GLNAC-6P SACCHAROMYCES CEREVISIAE ALPHA/BETA DOMAIN SWAPPING GNAT CONSERVED CORE TRANSFERASE
Ref.: THE CRYSTAL STRUCTURES OF APO AND COMPLEXED SACCHAROMYCES CEREVISIAE GNA1 SHED LIGHT ON THE CATALYTIC MECHANISM OF AN AMINO-SUGAR N-ACETYLTRANSFERASE. J.BIOL.CHEM. V. 276 16328 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
16G A:905;
B:906;
D:908;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
301.188 C8 H16 N O9 P CC(=O...
COA A:900;
B:901;
Valid;
Valid;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
IMD A:910;
Invalid;
none;
submit data
69.085 C3 H5 N2 c1c[n...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1I1D 1.8 Å EC: 2.3.1.4 CRYSTAL STRUCTURE OF YEAST GNA1 BOUND TO COA AND GLNAC-6P SACCHAROMYCES CEREVISIAE ALPHA/BETA DOMAIN SWAPPING GNAT CONSERVED CORE TRANSFERASE
Ref.: THE CRYSTAL STRUCTURES OF APO AND COMPLEXED SACCHAROMYCES CEREVISIAE GNA1 SHED LIGHT ON THE CATALYTIC MECHANISM OF AN AMINO-SUGAR N-ACETYLTRANSFERASE. J.BIOL.CHEM. V. 276 16328 2001
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1I1D - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1I12 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1I1D - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1I12 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1I1D - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1I12 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 16G; Similar ligands found: 46
No: Ligand ECFP6 Tc MDL keys Tc
1 16G 1 1
2 4QY 1 1
3 BMX 1 1
4 NGS 0.611111 0.803279
5 NNG 0.603774 0.890909
6 BM3 0.591837 0.735849
7 A2G 0.591837 0.735849
8 NDG 0.591837 0.735849
9 HSQ 0.591837 0.735849
10 NGA 0.591837 0.735849
11 NAG 0.591837 0.735849
12 ABF 0.553191 0.685185
13 HSX 0.553191 0.685185
14 RP5 0.553191 0.685185
15 BGP 0.55102 0.75
16 A6P 0.55102 0.75
17 M6D 0.55102 0.75
18 M6P 0.55102 0.75
19 G6P 0.55102 0.75
20 BG6 0.55102 0.75
21 4R1 0.509434 0.867925
22 GLP 0.509434 0.867925
23 AHG 0.489362 0.642857
24 50A 0.461538 0.62069
25 RF5 0.461538 0.62069
26 FDQ 0.444444 0.631579
27 GRF 0.442308 0.836364
28 FGR 0.4375 0.786885
29 RI2 0.436364 0.685185
30 NG1 0.42623 0.981132
31 GN1 0.42623 0.981132
32 ASG 0.419355 0.774194
33 G6S NAG 0.418919 0.727273
34 T6P 0.416667 0.696429
35 G16 0.413793 0.754717
36 CBS CBS 0.411765 0.724138
37 NDG NAG 0.411765 0.724138
38 CBS 0.411765 0.724138
39 NAG A2G 0.411765 0.724138
40 NAG GDL 0.411765 0.724138
41 NAG NGA 0.411765 0.724138
42 D6G 0.410714 0.722222
43 NDG GAL 0.409091 0.732143
44 NLC 0.409091 0.732143
45 GAL NDG 0.409091 0.732143
46 XYT 0.402985 0.696429
Ligand no: 2; Ligand: COA; Similar ligands found: 211
No: Ligand ECFP6 Tc MDL keys Tc
1 COA 1 1
2 0T1 0.894737 0.976744
3 DCA 0.893805 0.954023
4 COS 0.887931 0.977012
5 ETB 0.877193 0.920455
6 AMX 0.871795 0.988235
7 30N 0.871795 0.913979
8 CAO 0.871795 0.965909
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 ACO 0.857143 0.965909
12 FCX 0.857143 0.94382
13 FAM 0.857143 0.954545
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 SOP 0.836066 0.977012
18 MCD 0.836066 0.954545
19 OXK 0.836066 0.977012
20 CA6 0.836066 0.885417
21 COK 0.836066 0.977012
22 CO6 0.829268 0.977012
23 NMX 0.829268 0.903226
24 1VU 0.829268 0.965909
25 CMC 0.829268 0.977012
26 CAJ 0.822581 0.954545
27 SCD 0.822581 0.976744
28 2MC 0.822581 0.934066
29 2CP 0.81746 0.965909
30 A1S 0.816 0.977012
31 3HC 0.816 0.988372
32 IVC 0.816 0.988372
33 1HE 0.816 0.955056
34 MLC 0.816 0.977012
35 BCO 0.816 0.977012
36 COD 0.810345 0.988235
37 COO 0.809524 0.977012
38 MCA 0.809524 0.965909
39 CAA 0.809524 0.988372
40 YE1 0.809524 0.965517
41 MC4 0.80315 0.923913
42 SCA 0.80315 0.977012
43 CA8 0.796875 0.885417
44 COF 0.796875 0.955056
45 BYC 0.796875 0.977012
46 COW 0.796875 0.965909
47 3CP 0.796875 0.977012
48 IRC 0.796875 0.988372
49 1GZ 0.796875 0.965909
50 HGG 0.796875 0.977012
51 2KQ 0.796875 0.955056
52 BCA 0.790698 0.965909
53 4CA 0.790698 0.965909
54 FAQ 0.790698 0.977012
55 HXC 0.784615 0.955056
56 GRA 0.784615 0.977012
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 2NE 0.772727 0.955056
60 1CZ 0.772727 0.965909
61 CO8 0.772727 0.955056
62 S0N 0.772727 0.954545
63 CIC 0.772727 0.977012
64 DCC 0.766917 0.955056
65 UCC 0.766917 0.955056
66 0FQ 0.766917 0.977012
67 MYA 0.766917 0.955056
68 ST9 0.766917 0.955056
69 4CO 0.766917 0.965909
70 5F9 0.766917 0.955056
71 MFK 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 WCA 0.755556 0.955056
75 CS8 0.755556 0.944444
76 UOQ 0.75 0.955056
77 NHW 0.75 0.955056
78 NHM 0.75 0.955056
79 4KX 0.75 0.944444
80 HDC 0.75 0.955056
81 MRR 0.744526 0.955056
82 MRS 0.744526 0.955056
83 HFQ 0.744526 0.955056
84 YNC 0.73913 0.965909
85 DAK 0.73913 0.944444
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 F8G 0.715278 0.913979
89 1HA 0.713287 0.955056
90 01K 0.708333 0.977012
91 COT 0.703448 0.977012
92 CCQ 0.695652 0.934066
93 CA3 0.693878 0.977012
94 7L1 0.692308 0.965909
95 CA5 0.671053 0.934066
96 UCA 0.666667 0.955056
97 93P 0.666667 0.965909
98 CO7 0.664234 0.977012
99 93M 0.64557 0.965909
100 OXT 0.634146 0.913979
101 5TW 0.607143 0.913979
102 4BN 0.607143 0.913979
103 PAP 0.603604 0.811765
104 JBT 0.598837 0.894737
105 BSJ 0.592814 0.944444
106 HMG 0.581081 0.943182
107 COA PLM 0.573333 0.922222
108 PLM COA 0.573333 0.922222
109 A3P 0.54955 0.8
110 PPS 0.547009 0.752688
111 ASP ASP ASP ILE CMC NH2 0.536585 0.932584
112 0WD 0.521739 0.788889
113 SFC 0.490683 0.955056
114 RFC 0.490683 0.955056
115 191 0.490196 0.865979
116 ACE SER ASP ALY THR NH2 COA 0.483333 0.932584
117 3AM 0.482143 0.788235
118 PTJ 0.48062 0.872093
119 4PS 0.477477 0.682353
120 A22 0.468254 0.813953
121 A2D 0.465517 0.802326
122 PUA 0.462585 0.820225
123 PAJ 0.460938 0.883721
124 ATR 0.459016 0.8
125 SAP 0.459016 0.806818
126 AGS 0.459016 0.806818
127 3OD 0.458015 0.825581
128 ADP 0.453782 0.823529
129 A2R 0.448819 0.813953
130 BA3 0.445378 0.802326
131 OAD 0.442748 0.825581
132 NA7 0.442748 0.858824
133 ATP 0.442623 0.823529
134 HEJ 0.442623 0.823529
135 AP5 0.441667 0.802326
136 B4P 0.441667 0.802326
137 AR6 0.439024 0.802326
138 APR 0.439024 0.802326
139 2A5 0.439024 0.847059
140 5FA 0.439024 0.823529
141 AQP 0.439024 0.823529
142 AN2 0.438017 0.813953
143 AT4 0.438017 0.816092
144 48N 0.435714 0.808989
145 M33 0.434426 0.813953
146 9X8 0.431818 0.806818
147 SRP 0.429688 0.837209
148 ANP 0.428571 0.804598
149 ADQ 0.427481 0.804598
150 YLB 0.426573 0.908046
151 YLP 0.425532 0.886364
152 5AL 0.425197 0.813953
153 7D3 0.425 0.793103
154 AD9 0.424 0.804598
155 APU 0.423611 0.786517
156 7D4 0.422764 0.793103
157 CA0 0.422764 0.804598
158 25L 0.422222 0.813953
159 ATF 0.421875 0.795455
160 F2R 0.421769 0.865169
161 NJP 0.421769 0.806818
162 A2P 0.421488 0.788235
163 A A A 0.421053 0.813953
164 8QN 0.419847 0.813953
165 PNS 0.419643 0.682353
166 ACP 0.419355 0.825581
167 NDP 0.417808 0.788889
168 ACQ 0.417323 0.825581
169 A1R 0.416667 0.882353
170 ATP A A A 0.416058 0.770115
171 A 0.415254 0.8
172 AMP 0.415254 0.8
173 1ZZ 0.414815 0.842697
174 NB8 0.414815 0.808989
175 TXA 0.414815 0.816092
176 FYA 0.414815 0.813953
177 DLL 0.413534 0.793103
178 00A 0.413534 0.758242
179 AHX 0.413534 0.829545
180 PAX 0.412903 0.793478
181 DQV 0.411348 0.813953
182 OMR 0.409722 0.853933
183 9ZD 0.409091 0.818182
184 25A 0.409091 0.802326
185 OOB 0.409091 0.793103
186 9ZA 0.409091 0.818182
187 NPW 0.408163 0.822222
188 6YZ 0.407692 0.825581
189 A A 0.407407 0.781609
190 WAQ 0.407407 0.860465
191 TAT 0.40625 0.816092
192 T99 0.40625 0.816092
193 AMO 0.406015 0.837209
194 4AD 0.406015 0.827586
195 A3R 0.406015 0.882353
196 FA5 0.405797 0.816092
197 YAP 0.405797 0.806818
198 B5Y 0.405797 0.786517
199 TXP 0.405405 0.829545
200 ABM 0.404959 0.781609
201 PRX 0.404762 0.825581
202 ME8 0.404412 0.842697
203 BIS 0.404412 0.818182
204 AFH 0.404255 0.78022
205 J7V 0.403846 0.778947
206 NAI 0.402778 0.777778
207 ODP 0.402685 0.78022
208 DAL AMP 0.401515 0.793103
209 AU1 0.4 0.804598
210 ADX 0.4 0.752688
211 SRA 0.4 0.784091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1I1D; Ligand: 16G; Similar sites found with APoc: 204
This union binding pocket(no: 1) in the query (biounit: 1i1d.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 1GXU 2HP None
2 2VBQ BSJ None
3 4U00 ADP None
4 3LN9 FLC None
5 2W58 ADP None
6 4XPL ACO None
7 1IZC PYR None
8 2CDN ADP None
9 2BES RES None
10 5CHR 4NC None
11 1P0H COA None
12 1P0H ACO None
13 4B5P ACO 1.24224
14 4RI1 ACO 1.86335
15 1OXV ANP 1.86335
16 1NJJ GET 1.86335
17 2OFE NAG 2.11268
18 1Q7L GLY 2.27273
19 5FVJ ACO 2.48447
20 1W55 GPP 2.48447
21 6C0B PAM 2.48447
22 3TK1 GDP 2.48447
23 6C0B MLI 2.48447
24 3SBZ MLI 2.48447
25 2CBZ ATP 3.10559
26 1RRC ADP 3.10559
27 2PZE ATP 3.10559
28 4WZ6 ATP 3.10559
29 3ZUY TCH 3.10559
30 2CFC KPC 3.10559
31 5LKT BCO 3.10559
32 3LRE ADP 3.10559
33 1LCF OXL 3.10559
34 4KVX ACO 3.20513
35 2AWN ADP 3.72671
36 3PMA SCR 3.72671
37 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 3.72671
38 1YQT ADP 3.72671
39 5YV5 ADP 3.72671
40 3COB ADP 3.72671
41 4YMU ATP 3.72671
42 5W8E ADE 3.72671
43 5W8E SXZ 3.72671
44 1R0X ATP 3.72671
45 2DPY ADP 3.72671
46 5GVR LMR 4.34783
47 4H6U ACO 4.34783
48 1B0U ATP 4.34783
49 1LVG ADP 4.34783
50 4E03 ADP 4.34783
51 3W5J GDP 4.34783
52 1JGS SAL 4.34783
53 1ZGS XMM 4.34783
54 2VPY PCI 4.34783
55 3RC3 ANP 4.34783
56 5ZXD ATP 4.34783
57 4K30 NLG 4.375
58 5K04 COA 4.96894
59 3BIY 01K 4.96894
60 2NCD ADP 4.96894
61 1T5C ADP 4.96894
62 5KTC COA 4.96894
63 5KTC FUH 4.96894
64 1RYO OXL 4.96894
65 3UW5 MAA CHG PRO 0DQ 5.17241
66 4R2I ANP 5.2381
67 2WPW ACO 5.59006
68 2WPX ACO 5.59006
69 5NM7 GLY 5.59006
70 2D3Y DU 5.59006
71 2WHX ADP 5.59006
72 5M6N 7H9 5.9322
73 1F9V ADP 6.05187
74 4MTI 2DX 6.08696
75 5URY PAM 6.16438
76 2ZW5 COA 6.21118
77 6BA2 7KM 6.21118
78 2D2F ADP 6.21118
79 2VZZ SCA 6.21118
80 2ZFN ACO 6.21118
81 5FJJ MAN 6.21118
82 3B5J 12D 6.21118
83 3CZ7 ACO 6.21118
84 1IID NHM 6.21118
85 1HGX 5GP 6.21118
86 3KC1 2T6 6.21118
87 3A4M ADP 6.21118
88 1PVC ILE SER GLU VAL 6.21118
89 3UW4 MAA CHG PRO 0DQ 6.52174
90 2IL4 COA 6.79612
91 3TO7 COA 6.8323
92 2YNE YNE 6.8323
93 2YNE NHW 6.8323
94 2OG2 MLI 6.8323
95 4AVB ACO 6.8323
96 3B9Q MLI 6.8323
97 2YNC YNC 6.8323
98 6EDV COA 6.8323
99 5E5U MLI 6.8323
100 3IA4 MTX 6.8323
101 4AG5 ADP 6.8323
102 4KFU ACP 6.8323
103 4PPF FLC 7.45342
104 1S7N COA 7.45342
105 1JI0 ATP 7.45342
106 2X7I CIT 7.45342
107 1G8S MET 7.45342
108 1BOB ACO 8.07453
109 4QC6 30N 8.07453
110 4QM7 GTP 8.07453
111 3CM2 X23 8.46154
112 2WSA MYA 8.69565
113 2WSA 646 8.69565
114 5U32 GDP 8.69565
115 1TV5 N8E 8.69565
116 3MBI HSX 9.31677
117 1QSM ACO 9.86842
118 1G6H ADP 9.93789
119 1JLX GAL A2G MBN 9.93789
120 2XT3 ADP 9.93789
121 3KPE TM3 10.2564
122 5MU6 KFK 10.559
123 5MU6 MYA 10.559
124 3SXN COA 10.559
125 3GD8 GOL 10.559
126 6GH3 M1P 10.559
127 3P2H NOO 11.1801
128 5YBL AKG 11.1801
129 2VGK REZ 11.8012
130 4UWJ MYA 12.4224
131 4UWJ 7L5 12.4224
132 1IYK MYA 12.4224
133 2V7Q ADP 13.0137
134 6G96 ACO 13.0435
135 5LX9 OLB 13.6646
136 5TCI MLI 13.6646
137 4P83 U5P 13.6646
138 3K9U ACO 13.8365
139 1CM0 COA 14.2857
140 4NSQ COA 14.2857
141 1QSR ACO 14.2857
142 5H86 BCO 14.2857
143 1Q2D COA 14.2857
144 1QSN COA 14.2857
145 1PUA COA 14.2857
146 4YDS ATP 14.2857
147 4U9W COA 14.2857
148 2JDC CAO 14.3836
149 4CRZ ACO 14.5985
150 5LS7 ACO 14.5985
151 2ZPA ACO 14.9068
152 3D2M COA 15.528
153 1YRE COA 15.528
154 4LFL TG6 15.528
155 4PSW COA 15.7895
156 3ZJ0 ACO 16.1491
157 3R96 AMP 16.7702
158 3R96 ACO 16.7702
159 6A20 ADP 16.7702
160 1BO4 COA 16.7702
161 1Y2W NAG 16.9014
162 3TE4 ACO 17.3913
163 2FT0 ACO 17.3913
164 5YGE ACO 18.0124
165 5YGE GLU 18.0124
166 1V0C KNC 18.0124
167 1V0C ACO 18.0124
168 5JPH COA 18.0556
169 3WR7 COA 19.2547
170 1TIQ COA 19.2547
171 4R3L COA 19.2547
172 5TSH ADP 19.2547
173 2Q4V ACO 19.8758
174 5TVJ 7LF 19.8758
175 5TVJ COA 19.8758
176 1KUV CA5 21.118
177 1CJW COT 21.118
178 3NHB ADP 21.118
179 5XXS COA 21.2121
180 1N71 COA 21.7391
181 5KF9 ACO 21.7391
182 5KF9 COA 21.7391
183 5KF9 NAG 21.7391
184 2JEV NHQ 21.7391
185 1JJ7 ADP 21.7391
186 2B4D COA 22.3602
187 2B4B COA 22.3602
188 5HGZ ACO 22.3602
189 5HH0 COA 22.3602
190 1WWZ ACO 22.6415
191 4KOT CE3 22.9814
192 1M4I COA 22.9814
193 1M4I KAN 22.9814
194 1M4I PAP 22.9814
195 2XCU C5P 23.6025
196 3ZIA ADP 27.5362
197 4C2X NHW 27.9503
198 3F8K COA 28.125
199 1GHE ACO 29.1925
200 4UA3 COA 30.9278
201 2CNT COA 31.25
202 1Q2C COA 31.5789
203 5GK9 ACO 32
204 4R57 ACO 42.236
Pocket No.: 2; Query (leader) PDB : 1I1D; Ligand: COA; Similar sites found with APoc: 221
This union binding pocket(no: 2) in the query (biounit: 1i1d.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 2VBQ BSJ None
2 1GXU 2HP None
3 4U00 ADP None
4 3LN9 FLC None
5 2W58 ADP None
6 4XPL ACO None
7 2CDN ADP None
8 5CHR 4NC None
9 2BES RES None
10 1P0H COA None
11 1P0H ACO None
12 5CK5 GDP None
13 1ZHS NAG NAG BMA MAN MAN None
14 4B5P ACO 1.24224
15 4RI1 ACO 1.86335
16 1OXV ANP 1.86335
17 2CJW GDP 1.86335
18 2OFE NAG 2.11268
19 1Q7L GLY 2.27273
20 5FVJ ACO 2.48447
21 1W55 GPP 2.48447
22 6C0B PAM 2.48447
23 6C0B MLI 2.48447
24 3TK1 GDP 2.48447
25 2CBZ ATP 3.10559
26 1RRC ADP 3.10559
27 2PZE ATP 3.10559
28 4WZ6 ATP 3.10559
29 5LKT BCO 3.10559
30 3LRE ADP 3.10559
31 3ZUY TCH 3.10559
32 2CFC KPC 3.10559
33 1LCF OXL 3.10559
34 4KVX ACO 3.20513
35 2AWN ADP 3.72671
36 3PMA SCR 3.72671
37 5W8E SXZ 3.72671
38 5W8E ADE 3.72671
39 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 3.72671
40 3H4S ADP 3.72671
41 1YQT ADP 3.72671
42 5YV5 ADP 3.72671
43 2DPY ADP 3.72671
44 3COB ADP 3.72671
45 4YMU ATP 3.72671
46 2PYW SR1 3.72671
47 2HT6 GDP 3.72671
48 1R0X ATP 3.72671
49 5GVR LMR 4.34783
50 4H6U ACO 4.34783
51 1B0U ATP 4.34783
52 1LVG ADP 4.34783
53 4E03 ADP 4.34783
54 3W5J GDP 4.34783
55 3N75 G4P 4.34783
56 1JGS SAL 4.34783
57 2P3V SRT 4.34783
58 1JJV ATP 4.34783
59 4WOP CTP 4.34783
60 1ZGS XMM 4.34783
61 5ZXD ATP 4.34783
62 3RC3 ANP 4.34783
63 4K30 NLG 4.375
64 5K04 COA 4.96894
65 3BIY 01K 4.96894
66 1P6O HPY 4.96894
67 2NCD ADP 4.96894
68 1T5C ADP 4.96894
69 2KIN ADP 4.96894
70 3LTW HLZ 4.96894
71 5KTC FUH 4.96894
72 5KTC COA 4.96894
73 1RYO OXL 4.96894
74 3UW5 MAA CHG PRO 0DQ 5.17241
75 4R2I ANP 5.2381
76 2WPW ACO 5.59006
77 2WPX ACO 5.59006
78 5NM7 GLY 5.59006
79 2WHX ADP 5.59006
80 5M6N 7H9 5.9322
81 1F9V ADP 6.05187
82 4MTI 2DX 6.08696
83 5URY PAM 6.16438
84 2VZZ SCA 6.21118
85 2ZW5 COA 6.21118
86 6BA2 7KM 6.21118
87 2D2F ADP 6.21118
88 2ZFN ACO 6.21118
89 3CZ7 ACO 6.21118
90 5FJJ MAN 6.21118
91 1IID NHM 6.21118
92 3B5J 12D 6.21118
93 3A4M ADP 6.21118
94 3KC1 2T6 6.21118
95 1PVC ILE SER GLU VAL 6.21118
96 3UW4 MAA CHG PRO 0DQ 6.52174
97 2IL4 COA 6.79612
98 2YNE NHW 6.8323
99 2YNE YNE 6.8323
100 3TO7 COA 6.8323
101 4AVB ACO 6.8323
102 6EDV COA 6.8323
103 2OG2 MLI 6.8323
104 3B9Q MLI 6.8323
105 2YNC YNC 6.8323
106 5E5U MLI 6.8323
107 4AG5 ADP 6.8323
108 3IA4 MTX 6.8323
109 4KFU ACP 6.8323
110 2R42 FPS 6.8323
111 1S7N COA 7.45342
112 4PPF FLC 7.45342
113 1JI0 ATP 7.45342
114 2X7I CIT 7.45342
115 1G8S MET 7.45342
116 1BOB ACO 8.07453
117 4QC6 30N 8.07453
118 4QM7 GTP 8.07453
119 3CM2 X23 8.46154
120 2WSA 646 8.69565
121 2WSA MYA 8.69565
122 5U32 GDP 8.69565
123 3DC4 ADP 8.69565
124 1TV5 N8E 8.69565
125 2D5X L35 9.21986
126 3MBI HSX 9.31677
127 1QSM ACO 9.86842
128 1G6H ADP 9.93789
129 2XT3 ADP 9.93789
130 1JLX GAL A2G MBN 9.93789
131 3KPE TM3 10.2564
132 5MU6 MYA 10.559
133 5MU6 KFK 10.559
134 3SXN COA 10.559
135 3GD8 GOL 10.559
136 6GH3 M1P 10.559
137 3P2H NOO 11.1801
138 4PX9 ADP 11.8012
139 4UWJ 7L5 12.4224
140 4UWJ MYA 12.4224
141 1IYK MYA 12.4224
142 4OHU NAD 12.4224
143 4OHU 2TK 12.4224
144 2V7Q ADP 13.0137
145 6G96 ACO 13.0435
146 5LX9 OLB 13.6646
147 5TCI MLI 13.6646
148 4P83 U5P 13.6646
149 3K9U ACO 13.8365
150 5H86 BCO 14.2857
151 4NSQ COA 14.2857
152 1CM0 COA 14.2857
153 1QSR ACO 14.2857
154 1Q2D COA 14.2857
155 1QSN COA 14.2857
156 1PUA COA 14.2857
157 4YDS ATP 14.2857
158 4U9W COA 14.2857
159 2JDC CAO 14.3836
160 4CRZ ACO 14.5985
161 5LS7 ACO 14.5985
162 2ZPA ACO 14.9068
163 1OYJ GSH 15.1515
164 3D2M COA 15.528
165 1YRE COA 15.528
166 4LFL TG6 15.528
167 4PSW COA 15.7895
168 3ZJ0 ACO 16.1491
169 3R96 ACO 16.7702
170 3R96 AMP 16.7702
171 1BO4 COA 16.7702
172 3GCM 5GP 16.7702
173 1Y2W NAG 16.9014
174 3TE4 ACO 17.3913
175 2FT0 ACO 17.3913
176 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 17.3913
177 4Z2S NDG 17.6056
178 4Z2S NAG 17.6056
179 5YGE ACO 18.0124
180 5YGE GLU 18.0124
181 1V0C KNC 18.0124
182 1V0C ACO 18.0124
183 5JPH COA 18.0556
184 3WR7 COA 19.2547
185 1TIQ COA 19.2547
186 4R3L COA 19.2547
187 5TSH ADP 19.2547
188 5TSH ANP 19.2547
189 2Q4V ACO 19.8758
190 5TVJ COA 19.8758
191 5TVJ 7LF 19.8758
192 1KUV CA5 21.118
193 1CJW COT 21.118
194 3NHB ADP 21.118
195 5XXS COA 21.2121
196 1N71 COA 21.7391
197 5KF9 ACO 21.7391
198 5KF9 COA 21.7391
199 5KF9 NAG 21.7391
200 2JEV NHQ 21.7391
201 1JJ7 ADP 21.7391
202 5HGZ ACO 22.3602
203 2B4B COA 22.3602
204 2B4D COA 22.3602
205 5HH0 COA 22.3602
206 2VVG ADP 22.3602
207 1WWZ ACO 22.6415
208 4KOT CE3 22.9814
209 1M4I KAN 22.9814
210 1M4I COA 22.9814
211 1M4I PAP 22.9814
212 2XCU C5P 23.6025
213 3ZIA ADP 27.5362
214 4C2X NHW 27.9503
215 3F8K COA 28.125
216 1GHE ACO 29.1925
217 4UA3 COA 30.9278
218 2CNT COA 31.25
219 1Q2C COA 31.5789
220 5GK9 ACO 32
221 4R57 ACO 42.236
Pocket No.: 3; Query (leader) PDB : 1I1D; Ligand: 16G; Similar sites found with APoc: 60
This union binding pocket(no: 3) in the query (biounit: 1i1d.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZHS NAG NAG BMA MAN MAN None
2 5CK5 GDP None
3 1NU4 MLA None
4 1PZM 5GP None
5 4V2O CLQ None
6 4CVN ADP 1.86335
7 2CJW GDP 1.86335
8 4UBS DIF 2.48447
9 5LVP ATP 3.10559
10 4A59 AMP 3.10559
11 1XX6 ADP 3.10559
12 2B99 RDL 3.20513
13 2ED4 NAD 3.3557
14 2IYL GDP 3.52113
15 3H4S ADP 3.72671
16 4FRZ ADP 3.72671
17 4LC1 GDP 3.72671
18 2HT6 GDP 3.72671
19 2C3H GLC GLC 4.08163
20 2VNO GAL GAL FUC 4.34783
21 3E70 GDP 4.34783
22 1JJV ATP 4.34783
23 4JZ8 CIT 4.34783
24 1RQH PYR 4.34783
25 5F1V 3VN 4.34783
26 2ZX2 RAM 4.34783
27 2JBH 5GP 4.34783
28 2KIN ADP 4.96894
29 5O74 GDP 4.96894
30 5LB3 ADP 4.96894
31 2YGM GLA NAG GAL FUC 5.59006
32 2ZR9 DTP 5.59006
33 6CGN DA 6.21118
34 5L3W GDP 6.21118
35 3P4X ADP 6.8323
36 2V2G BEZ 6.8323
37 2R42 FPS 6.8323
38 4IHQ ADP 7.45342
39 4IEE AGS 7.45342
40 3S6X SIA GAL BGC 8.07453
41 3BER AMP 8.07453
42 1E5F PLP 8.07453
43 3DC4 ADP 8.69565
44 2D5X L35 9.21986
45 3IUY AMP 9.31677
46 2OWZ CIT 9.31677
47 1H5R THM 9.31677
48 2OBM ADP 9.93789
49 4Z7X 3CX 10.559
50 3TBK ANP 10.559
51 3EC1 GDP 11.8012
52 2FSH ANP 12.4224
53 5H4S RAM 13.6646
54 3BP1 GUN 16.1491
55 4Z2S NAG 17.6056
56 4Z2S NDG 17.6056
57 3TDC 0EU 18.0124
58 5TSH ANP 19.2547
59 3VSV XYP 19.2547
60 2VVG ADP 22.3602
Pocket No.: 4; Query (leader) PDB : 1I1D; Ligand: 16G; Similar sites found with APoc: 22
This union binding pocket(no: 4) in the query (biounit: 1i1d.bio2) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 4P7U 1PS None
2 1W55 C 2.48447
3 4LOC OXM 2.48447
4 5CQG 55C 3.10559
5 2BP1 FLC 3.10559
6 1GOJ ADP 3.72671
7 3L6C MLI 3.72671
8 2Y65 ADP 3.72671
9 3CT5 NAG NAG NAG 4.40252
10 3ITA AIC 5.59006
11 2X1L MET 5.59006
12 1MJT NAD 6.21118
13 1U3G ADP 6.8323
14 5L8L ADP 7.69231
15 6HT0 GQ8 9.03226
16 4YDU ADP 11.1801
17 1J78 OLA 11.1801
18 1O5O U5P 11.8012
19 1EWK GLU 12.4224
20 2WW4 ADP 13.0742
21 4ONT SIA GAL BGC 13.9535
22 1OYJ GSH 15.1515
Pocket No.: 5; Query (leader) PDB : 1I1D; Ligand: COA; Similar sites found with APoc: 39
This union binding pocket(no: 5) in the query (biounit: 1i1d.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 1IZC PYR None
3 4P7U 1PS None
4 1TUK PGM None
5 4Y0X ADP 2.48447
6 1W55 C 2.48447
7 5CQG 55C 3.10559
8 2BP1 FLC 3.10559
9 1XX6 ADP 3.10559
10 3LE7 ADE 3.10559
11 2B99 RDL 3.20513
12 2IYL GDP 3.52113
13 1GOJ ADP 3.72671
14 4FRZ ADP 3.72671
15 3L6C MLI 3.72671
16 2Y65 ADP 3.72671
17 4JZ8 CIT 4.34783
18 4DE3 DN8 4.96894
19 3ITA AIC 5.59006
20 1MJT NAD 6.21118
21 6BR8 6OU 6.21118
22 5N49 8LW 6.66667
23 1U3G ADP 6.8323
24 3P4X ADP 6.8323
25 4RFM 3P6 7.45342
26 5L8L ADP 7.69231
27 1DTL BEP 8.07453
28 1QO8 FAD 8.69565
29 6HT0 GQ8 9.03226
30 6MJ7 ARG 9.09091
31 3DUV KDO 9.31677
32 4Z7X 3CX 10.559
33 4YDU ADP 11.1801
34 1J78 OLA 11.1801
35 3EC1 GDP 11.8012
36 2WW4 ADP 13.0742
37 6A20 ADP 16.7702
38 1Q9I FAD 18.6335
39 1Q9I TEO 18.6335
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