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Receptor
PDB id Resolution Class Description Source Keywords
2XIQ 1.95 Å EC: 5.4.99.2 CRYSTAL STRUCTURE OF HUMAN METHYLMALONYL-COA MUTASE IN COMPLEX WITH ADENOSYLCOBALAMIN AND MALONYL-COA HOMO SAPIENS ORGANIC ACIDURIA ISOMERASE METABOLIC DISEASE VITAMIN B12
Ref.: STRUCTURES OF THE HUMAN GTPASE MMAA AND VITAMIN B12-DEPENDENT METHYLMALONYL-COA MUTASE AND INSIGHT INTO THEIR COMPLEX FORMATION. J.BIOL.CHEM. V. 285 38204 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5AD A:4001;
B:4001;
Valid;
Valid;
none;
none;
submit data
251.242 C10 H13 N5 O3 C[C@@...
B12 A:3001;
B:3001;
Part of Protein;
Part of Protein;
none;
none;
submit data
1330.36 C62 H89 Co N13 O14 P Cc1cc...
MLC A:5001;
B:5001;
Valid;
Valid;
none;
none;
submit data
853.58 C24 H38 N7 O19 P3 S CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XIQ 1.95 Å EC: 5.4.99.2 CRYSTAL STRUCTURE OF HUMAN METHYLMALONYL-COA MUTASE IN COMPLEX WITH ADENOSYLCOBALAMIN AND MALONYL-COA HOMO SAPIENS ORGANIC ACIDURIA ISOMERASE METABOLIC DISEASE VITAMIN B12
Ref.: STRUCTURES OF THE HUMAN GTPASE MMAA AND VITAMIN B12-DEPENDENT METHYLMALONYL-COA MUTASE AND INSIGHT INTO THEIR COMPLEX FORMATION. J.BIOL.CHEM. V. 285 38204 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2XIQ - MLC C24 H38 N7 O19 P3 S CC(C)(CO[P....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2XIQ - MLC C24 H38 N7 O19 P3 S CC(C)(CO[P....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2XIQ - MLC C24 H38 N7 O19 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5AD; Similar ligands found: 203
No: Ligand ECFP6 Tc MDL keys Tc
1 5AD 1 1
2 ADN 0.672727 0.854839
3 RAB 0.672727 0.854839
4 XYA 0.672727 0.854839
5 5N5 0.649123 0.854839
6 Y3J 0.649123 0.929825
7 MTA 0.639344 0.857143
8 5CD 0.637931 0.868852
9 A4D 0.637931 0.854839
10 EP4 0.633333 0.830769
11 M2T 0.622951 0.80597
12 DTA 0.596774 0.815385
13 3DH 0.59375 0.857143
14 CC5 0.568965 0.883333
15 7D7 0.568965 0.793651
16 S4M 0.565217 0.72
17 AOC 0.558824 0.828125
18 NEC 0.558824 0.885246
19 ZAS 0.552239 0.791045
20 A 0.552239 0.768116
21 AMP 0.552239 0.768116
22 LMS 0.552239 0.670886
23 ABM 0.550725 0.771429
24 A3N 0.550725 0.815385
25 6RE 0.544118 0.757143
26 SRA 0.544118 0.726027
27 3AM 0.537313 0.753623
28 DSH 0.536232 0.768116
29 MAO 0.535211 0.710526
30 3AD 0.532258 0.83871
31 SP1 0.529412 0.722222
32 RP1 0.529412 0.722222
33 J7C 0.528571 0.768116
34 A2D 0.528571 0.746479
35 5AS 0.527778 0.650602
36 GJV 0.521127 0.746479
37 SON 0.520548 0.716216
38 A3G 0.514286 0.80303
39 A12 0.513889 0.716216
40 BA3 0.513889 0.746479
41 AP2 0.513889 0.716216
42 M33 0.513514 0.760563
43 AU1 0.513514 0.726027
44 MHZ 0.513514 0.710526
45 AP5 0.506849 0.746479
46 B4P 0.506849 0.746479
47 ADP 0.506849 0.746479
48 AN2 0.5 0.736111
49 A7D 0.5 0.80303
50 2AM 0.5 0.742857
51 SAM 0.5 0.75
52 PRX 0.5 0.75
53 AT4 0.5 0.716216
54 SA8 0.493506 0.771429
55 AD9 0.493506 0.726027
56 ADX 0.493333 0.670886
57 CA0 0.493333 0.726027
58 2BA 0.493151 0.764706
59 A3P 0.493151 0.742857
60 CMP 0.493151 0.776119
61 HEJ 0.486842 0.746479
62 50T 0.486842 0.736111
63 5X8 0.486842 0.815385
64 ACP 0.486842 0.726027
65 A3T 0.486842 0.857143
66 ATP 0.486842 0.746479
67 SFG 0.486842 0.828125
68 7D5 0.485294 0.684932
69 9ZA 0.481928 0.72
70 9ZD 0.481928 0.72
71 SMM 0.481481 0.72
72 ANP 0.481013 0.726027
73 5FA 0.480519 0.746479
74 APR 0.480519 0.746479
75 AR6 0.480519 0.746479
76 APC 0.480519 0.716216
77 AQP 0.480519 0.746479
78 A3S 0.48 0.815385
79 OVE 0.478873 0.712329
80 AAT 0.475 0.746479
81 5AL 0.475 0.760563
82 EEM 0.475 0.75
83 A5D 0.474359 0.815385
84 ADV 0.474359 0.716216
85 SAP 0.474359 0.706667
86 AGS 0.474359 0.706667
87 ADP PO3 0.474359 0.768116
88 RBY 0.474359 0.716216
89 QQX 0.471429 0.708333
90 5F1 0.469697 0.78125
91 A5A 0.469136 0.675
92 SAI 0.468354 0.779412
93 G5A 0.468354 0.630952
94 SAH 0.468354 0.791045
95 103 0.464789 0.764706
96 QQY 0.464789 0.71831
97 ACK 0.464789 0.761194
98 S7M 0.463415 0.75
99 ACQ 0.4625 0.726027
100 T99 0.4625 0.716216
101 GAP 0.4625 0.726027
102 TAT 0.4625 0.716216
103 3L1 0.461538 0.772727
104 3D1 0.461538 0.772727
105 54H 0.457831 0.658537
106 52H 0.457831 0.650602
107 VMS 0.457831 0.658537
108 PAP 0.455696 0.732394
109 A2P 0.453333 0.753623
110 NOC 0.453125 0.790323
111 5I5 0.453125 0.913793
112 53H 0.452381 0.650602
113 DAL AMP 0.452381 0.760563
114 MAP 0.452381 0.706667
115 TSB 0.452381 0.666667
116 ADP ALF 0.451219 0.706667
117 ATF 0.451219 0.716216
118 ALF ADP 0.451219 0.706667
119 2VA 0.448718 0.830769
120 8QN 0.447059 0.760563
121 5SV 0.447059 0.710526
122 6YZ 0.445783 0.726027
123 SRP 0.445783 0.716216
124 VO4 ADP 0.445783 0.736111
125 SSA 0.445783 0.630952
126 ADP VO4 0.445783 0.736111
127 LSS 0.44186 0.635294
128 0UM 0.44186 0.760563
129 PAJ 0.44186 0.701299
130 7D3 0.44 0.666667
131 PPS 0.439024 0.65
132 1ZZ 0.438202 0.683544
133 NVA 2AD 0.4375 0.782609
134 62X 0.436782 0.72
135 NVA LMS 0.436782 0.627907
136 A22 0.435294 0.736111
137 D3Y 0.435294 0.791045
138 8X1 0.435294 0.609195
139 5CA 0.435294 0.630952
140 KB1 0.433333 0.736111
141 MYR AMP 0.433333 0.683544
142 ARJ 0.432836 0.774194
143 VRT 0.432099 0.794118
144 SO8 0.432099 0.818182
145 9X8 0.431818 0.72973
146 LEU LMS 0.431818 0.627907
147 K15 0.431818 0.739726
148 OAD 0.431818 0.75
149 S8M 0.430233 0.757143
150 OOB 0.430233 0.736111
151 GEK 0.430233 0.757143
152 25A 0.430233 0.746479
153 WAQ 0.426966 0.697368
154 GSU 0.426966 0.630952
155 3NZ 0.426966 0.782609
156 ADZ 0.425926 0.618182
157 AMO 0.425287 0.716216
158 ADQ 0.425287 0.726027
159 A1R 0.425287 0.697368
160 NSS 0.425287 0.630952
161 DSZ 0.425287 0.630952
162 A3R 0.425287 0.697368
163 4AD 0.425287 0.706667
164 2A5 0.425 0.68
165 TXA 0.422222 0.739726
166 BIS 0.422222 0.697368
167 9K8 0.422222 0.627907
168 3OD 0.422222 0.75
169 ME8 0.422222 0.683544
170 PTJ 0.422222 0.710526
171 SXZ 0.422222 0.75
172 00A 0.420455 0.697368
173 DLL 0.420455 0.736111
174 AHX 0.420455 0.688312
175 ATR 0.419753 0.742857
176 7D4 0.417722 0.666667
177 TAD 0.416667 0.679487
178 ADP BMA 0.41573 0.726027
179 3UK 0.41573 0.726027
180 A6D 0.41573 0.716216
181 26A 0.411765 0.787879
182 AFX 0.411765 0.716418
183 LAD 0.411111 0.679487
184 KAA 0.411111 0.609195
185 PR8 0.411111 0.670886
186 B5V 0.411111 0.716216
187 P5A 0.411111 0.602273
188 A A 0.411111 0.746479
189 V3L 0.409639 0.746479
190 B5M 0.408602 0.72973
191 YAP 0.408602 0.706667
192 B5Y 0.408602 0.72973
193 0XU 0.407407 0.828125
194 FYA 0.406593 0.736111
195 JB6 0.406593 0.697368
196 NB8 0.406593 0.688312
197 YSA 0.404255 0.630952
198 ZDA 0.402439 0.742857
199 25L 0.402174 0.736111
200 A A A 0.4 0.736111
201 101 0.4 0.708333
202 4UV 0.4 0.706667
203 TYR AMP 0.4 0.706667
Ligand no: 2; Ligand: MLC; Similar ligands found: 145
No: Ligand ECFP6 Tc MDL keys Tc
1 MLC 1 1
2 CAA 0.912 0.988506
3 SCA 0.889764 1
4 1VU 0.888 0.966292
5 HGG 0.882812 1
6 1HE 0.874016 0.955556
7 3HC 0.874016 0.988506
8 IVC 0.874016 0.988506
9 BCO 0.874016 0.977273
10 ACO 0.870968 0.966292
11 GRA 0.869231 1
12 OXK 0.865079 1
13 TGC 0.862595 0.988636
14 3KK 0.857143 0.977273
15 CAO 0.854839 0.944444
16 COS 0.854839 0.955056
17 2MC 0.851562 0.934783
18 FAQ 0.847328 0.977273
19 CMC 0.84375 0.977273
20 CO6 0.84375 0.977273
21 HXC 0.840909 0.955556
22 MCA 0.838462 0.988636
23 SCO 0.833333 0.977012
24 CO8 0.828358 0.955556
25 FYN 0.828125 0.977012
26 COO 0.824427 0.977273
27 ST9 0.822222 0.955556
28 MYA 0.822222 0.955556
29 5F9 0.822222 0.955556
30 DCC 0.822222 0.955556
31 MFK 0.822222 0.955556
32 UCC 0.822222 0.955556
33 SOP 0.821705 0.955056
34 COK 0.821705 0.955056
35 CMX 0.818898 0.977012
36 MC4 0.818182 0.924731
37 2CP 0.818182 0.966292
38 COA 0.816 0.977012
39 0T1 0.816 0.954545
40 1CZ 0.814815 0.988636
41 DCA 0.814516 0.932584
42 3CP 0.81203 0.977273
43 2KQ 0.81203 0.977528
44 1GZ 0.81203 0.966292
45 IRC 0.81203 0.988506
46 BYC 0.81203 0.977273
47 COW 0.81203 0.966292
48 30N 0.811024 0.894737
49 CS8 0.810219 0.945055
50 BCA 0.80597 0.966292
51 HDC 0.804348 0.955556
52 A1S 0.80303 0.955056
53 ETB 0.8 0.9
54 FCX 0.79845 0.944444
55 AMX 0.796875 0.965517
56 SCD 0.795455 0.977012
57 YNC 0.792857 0.966292
58 CIC 0.788321 0.977273
59 2NE 0.788321 0.955556
60 COF 0.785185 0.934066
61 FAM 0.784615 0.933333
62 MCD 0.780303 0.955056
63 4CA 0.779412 0.944444
64 HAX 0.778626 0.933333
65 1CV 0.771429 1
66 WCA 0.771429 0.955556
67 CAJ 0.768657 0.955056
68 CA6 0.766917 0.867347
69 4KX 0.765957 0.945055
70 NMX 0.761194 0.884211
71 MRR 0.760563 0.955556
72 MRS 0.760563 0.955556
73 4CO 0.757143 0.944444
74 0FQ 0.757143 0.955056
75 DAK 0.755245 0.945055
76 0ET 0.751773 0.934066
77 01A 0.751773 0.913979
78 8Z2 0.75 0.945055
79 CCQ 0.75 0.934783
80 CA8 0.746377 0.886598
81 YE1 0.744526 0.94382
82 NHW 0.741259 0.934066
83 UOQ 0.741259 0.934066
84 NHM 0.741259 0.934066
85 HFQ 0.736111 0.934066
86 1HA 0.72973 0.955556
87 NHQ 0.727891 0.965909
88 UCA 0.727273 0.955556
89 S0N 0.725352 0.955056
90 F8G 0.72 0.935484
91 01K 0.713333 0.955056
92 7L1 0.711111 0.966292
93 COT 0.708609 0.955056
94 CA3 0.688312 0.955056
95 CO7 0.683099 0.977273
96 CA5 0.677215 0.913979
97 93P 0.672956 0.966292
98 93M 0.662577 0.966292
99 COD 0.661654 0.965517
100 HMG 0.633333 0.965909
101 COA PLM 0.625 0.923077
102 PLM COA 0.625 0.923077
103 5TW 0.624277 0.914894
104 4BN 0.624277 0.914894
105 OXT 0.622093 0.914894
106 JBT 0.597765 0.915789
107 BSJ 0.573864 0.945055
108 ASP ASP ASP ILE CMC NH2 0.556213 0.933333
109 PAP 0.54918 0.793103
110 191 0.541936 0.867347
111 SFC 0.512048 0.955556
112 RFC 0.512048 0.955556
113 PPS 0.511811 0.736842
114 A3P 0.5 0.781609
115 ACE SER ASP ALY THR NH2 COA 0.494624 0.933333
116 0WD 0.493243 0.771739
117 PTJ 0.442857 0.873563
118 3AM 0.439024 0.770115
119 A22 0.430657 0.795455
120 PUA 0.43038 0.802198
121 A2D 0.425197 0.784091
122 PAJ 0.42446 0.885057
123 3OD 0.422535 0.827586
124 SAP 0.421053 0.808989
125 ATR 0.421053 0.781609
126 AGS 0.421053 0.808989
127 ADP 0.415385 0.804598
128 48N 0.413333 0.811111
129 A2R 0.413043 0.816092
130 OAD 0.408451 0.827586
131 NA7 0.408451 0.83908
132 BA3 0.407692 0.784091
133 ATP 0.406015 0.804598
134 HEJ 0.406015 0.804598
135 AP5 0.40458 0.784091
136 B4P 0.40458 0.784091
137 ADQ 0.404255 0.806818
138 5FA 0.402985 0.804598
139 AR6 0.402985 0.804598
140 APR 0.402985 0.804598
141 2A5 0.402985 0.827586
142 AQP 0.402985 0.804598
143 ME8 0.402778 0.844444
144 AN2 0.401515 0.795455
145 F2R 0.401274 0.866667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XIQ; Ligand: 5AD; Similar sites found with APoc: 37
This union binding pocket(no: 1) in the query (biounit: 2xiq.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2WTX VDO 1.26582
2 2ZPA ADP 1.34128
3 6CBO DOW 1.59453
4 4S28 SAH 2.08333
5 4S28 AIR 2.08333
6 1ODJ GMP 2.12766
7 5UAV NDP 2.17391
8 3NT6 FAD 2.26481
9 3NTA FAD 2.26481
10 3ETG NDP 2.39521
11 3ETG GLU 2.39521
12 5YAP NAI 2.89474
13 5YAP 8S0 2.89474
14 3DER ALA LYS 2.89855
15 5GVL GI8 3.16742
16 5GVL PLG 3.16742
17 3VSV XYP 3.29154
18 4HKP TKW 3.84615
19 5UGW GSH 4
20 1UUO FMN 4.03226
21 1UUO BRF 4.03226
22 1UUO ORO 4.03226
23 1LDN NAD 4.11392
24 5F7V GLC GLC GLC GLC 4.25
25 2OFV 242 5.05415
26 1KPG 16A 5.22648
27 1DQX BMP 6.36704
28 3GPO APR 7.7381
29 4WOP CTP 8.88889
30 6EXF LYS 9.67742
31 4ITU 1HS 10.7807
32 4ITU NAI 10.7807
33 1CLU DBG 10.8434
34 6E2B PT7 15.7895
35 1G63 FMN 16.0221
36 3KFC 61X 17.3913
37 1CCW TAR 45.2555
Pocket No.: 2; Query (leader) PDB : 2XIQ; Ligand: MLC; Similar sites found with APoc: 186
This union binding pocket(no: 2) in the query (biounit: 2xiq.bio3) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 6B79 ORA None
2 5L2R MLA 1.3245
3 4HXY ACA 1.36986
4 1IZC PYR 1.47493
5 1GPM AMP 1.52381
6 1GPM CIT 1.52381
7 1SR9 KIV 1.5528
8 2VZR GCU 1.5748
9 1VJ7 GPX 1.78117
10 4RF7 ARG 1.81058
11 2OJW ADP 1.82292
12 5LY2 OGA 1.83727
13 5F7J ADE 1.875
14 1G51 AMP 1.89655
15 1RYD GLC 2.06718
16 1OGO BGC GLC 2.09059
17 1ODJ GMP 2.12766
18 5WBF LAC 2.22222
19 3U6W KIV 2.23097
20 4CM9 YGL 2.43056
21 1OJK GLC BGC 2.48756
22 4FBL SPD 2.4911
23 3KYF 5GP 5GP 2.5974
24 5LX6 78P 2.6178
25 1VRP ADP 2.62467
26 3JU6 ANP 2.7027
27 1OFL NGK GCD 2.7027
28 4YJK URA 2.77778
29 5W75 SUC 2.80612
30 3C8F MT2 2.85714
31 1I1E DM2 2.88714
32 3ESS 18N 3.04348
33 4H69 10Y 3.09278
34 1U6R ADP 3.15789
35 6EK3 OUL 3.16742
36 3QPB URA 3.19149
37 3CL7 HYN 3.24675
38 5YJS SAL 3.33333
39 4RD0 GDP 3.37349
40 1C1X HFA 3.38028
41 1C3X 8IG 3.38346
42 2OVW CBI 3.40633
43 5JSP DQY 3.48259
44 2QLU ADE 3.50318
45 5KJW 53C 3.51288
46 1OFZ FUL 3.52564
47 2Z3U CRR 3.52941
48 4XDA RIB 3.55987
49 5VM6 9EG 3.64964
50 5D9G GLU ASN LEU TYR PHE GLN 3.65854
51 5AB1 BCD TA5 HP6 MAN 3.66667
52 2Q8E OGA 3.69318
53 3H22 B53 3.7037
54 3BJE URA 3.72493
55 5T9C G3P 3.73134
56 3LGS ADE 3.74532
57 3LGS SAH 3.74532
58 6CCU PRO HIS ARG VAL 3.76344
59 1M3U KPL 3.78788
60 2VEG PMM 3.82166
61 3RGA LSB 3.88693
62 4J25 OGA 3.93013
63 4QAR ADE 3.9801
64 5GP0 GPP 4.02685
65 3ZGJ RMN 4.04313
66 3QH2 3NM 4.0724
67 1XNK XS2 4.08163
68 3DG6 MUC 4.08719
69 1BC5 ACE ASN TRP GLU THR PHE 4.08922
70 4D52 GIV 4.12698
71 4D52 GXL 4.12698
72 4D4U FUC GAL 4.12698
73 3U40 ADN 4.13223
74 5Y4R C2E 4.13793
75 3B6R ADP 4.19948
76 3MI3 LYS 4.25532
77 4RW3 IPD 4.30464
78 2HW1 FRU 4.36242
79 2HK9 SKM 4.36364
80 1SDW IYT 4.4586
81 5YRV 5AD 4.5
82 4I9A NCN 4.51389
83 1W8S FBP 4.56274
84 4GLW NMN 4.59016
85 2FCU AKG 4.79233
86 3HCH RSM 4.79452
87 4FK7 P34 4.80349
88 5IFK HPA 4.80769
89 4YRI 4JH 4.82456
90 1EX7 5GP 4.85564
91 4V3C C 4.89691
92 1F52 ADP 4.91453
93 3M3E GAL A2G NPO 4.96894
94 5I0U DCY 5
95 1YKD CMP 5.02513
96 5G48 1FL 5.08021
97 2RDE C2E 5.17928
98 3EW2 BTN 5.18518
99 2P7Q GG6 5.26316
100 5FUI APY 5.30303
101 1OGX EQU 5.34351
102 1EYE PMM 5.35714
103 2P4S DIH 5.36193
104 2FKA BEF 5.42636
105 2ALG DAO 5.43478
106 2ET1 GLV 5.47264
107 2OMN IPH 5.52995
108 4HWT 1B2 5.56901
109 1QDS PGA 5.57769
110 2YKL NLD 5.66038
111 4RHS SIA SIA GAL 5.7377
112 6CLV 6MB 5.84192
113 6GNO XDI 5.92593
114 5M6N 7H9 5.9322
115 5EJL C2E 6.04839
116 2GOO NDG 6.14035
117 5HWV MBN 6.15385
118 5V3D FCN 6.2069
119 1QKQ MAN 6.33803
120 3H0L ADP 6.38298
121 3UWV 2PG 6.51341
122 4JH6 FCN 6.52174
123 6FOF LAT 6.63265
124 5EO8 TFU 6.75241
125 1JGU HBC 6.81818
126 5DYO FLU 6.88073
127 3A16 PXO 6.97051
128 6CZI 38E 7.14286
129 4WOE ADP 7.40223
130 1NKI PPF 7.40741
131 2DIO EOD 7.44681
132 5F7N NAG GAL FUC FUC A2G 7.5
133 3THR C2F 7.50853
134 1DZK PRZ 7.64331
135 6CAY ERG 7.69231
136 4RT1 C2E 8.03571
137 4FXQ G9L 8.04348
138 1GT4 UNA 8.1761
139 5H9P TD2 8.22785
140 1UGY GLA BGC 8.27068
141 1UGY GLA GLC 8.27068
142 1J3R 6PG 8.42105
143 2VQ5 HBA 8.45771
144 3ZO7 K6H 8.51064
145 1VMK GUN 8.66426
146 3QSB 743 8.74317
147 4BG4 ADP 8.98876
148 4BG4 ARG 8.98876
149 3NZ1 3NY 9.1954
150 5OFW 9TW 9.41704
151 2YIP YIO 9.42029
152 5F6U 5VK 9.55414
153 2XG5 EC5 9.82659
154 2XG5 EC2 9.82659
155 3SAO DBH 10
156 3SAO NKN 10
157 2C49 ADN 10.2649
158 2JIG PD2 10.2679
159 4B5W PYR 10.5469
160 5FPE 3TR 10.5943
161 5N53 8NB 10.7692
162 2G30 ALA ALA PHE 10.8527
163 2R5V HHH 10.9244
164 5UC4 83S 11.3636
165 2JBM SRT 11.3712
166 3JQ3 ADP 11.4754
167 5OCG 9R5 11.6402
168 1F9V ADP 11.8156
169 5N0L ILE 11.9497
170 3UYW TAU 12.1495
171 4RYV ZEA 12.2581
172 5GLT BGC GAL NAG GAL 12.3239
173 4IF4 BEF 12.5
174 2IUW AKG 12.605
175 1ZOS MTM 12.6087
176 6FA4 D1W 12.7168
177 2GVJ DGB 14.053
178 4BS0 6NT 14.1509
179 3LLZ GAL NGA 15.7895
180 1Y7P RIP 16.5919
181 5XQW 8EU 17.0507
182 2B7N NTM 17.2161
183 4H6B 10Y 17.4359
184 3AVR OGA 18.1818
185 5LV1 78T 18.2143
186 5HZ9 5M8 18.5185
Pocket No.: 3; Query (leader) PDB : 2XIQ; Ligand: MLC; Similar sites found with APoc: 33
This union binding pocket(no: 3) in the query (biounit: 2xiq.bio3) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5H06 MAL 0.9375
2 1DJX I3P 1.28205
3 4XFM THE 1.50862
4 5MRH Q9Z 1.58046
5 2ZWI C5P 2.14477
6 1OJJ GLC GAL 2.48756
7 2Y5S 78H 2.72109
8 1I06 TZL 2.77778
9 1BW9 PPY 3.37079
10 1WNB BTL 3.41207
11 2P5B OGA 3.69318
12 5O5Y GLC 3.87931
13 4D4U FUC GAL NAG 4.12698
14 1P0Z FLC 4.58015
15 2HZQ STR 4.5977
16 3KFF ZBT 4.93827
17 3KFF XBT 4.93827
18 2C5S AMP 5.08475
19 5XLY C2E 5.26316
20 4XJ6 GH3 5.65111
21 3KYG 5GP 5GP 5.72687
22 4XCB AKG 5.74713
23 3KDM TES 5.9633
24 1SWG BTN 6.25
25 2VDF OCT 6.71937
26 1MJJ HAL 6.84932
27 4M1U A2G MBG 9.42761
28 1SGJ OAA 10.2113
29 3TAO PGH 13.1086
30 4O12 2QG 13.7725
31 4H6B 10X 17.4359
32 6F7X MFU 18.8889
33 5KEW 6SB 20.2128
Pocket No.: 4; Query (leader) PDB : 2XIQ; Ligand: 5AD; Similar sites found with APoc: 6
This union binding pocket(no: 4) in the query (biounit: 2xiq.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2WTX UDP 1.26582
2 3NTD FAD 2.30088
3 1IIM TTP 2.73973
4 3A28 NAD 5.42636
5 1LFD GNP 10.7784
6 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 17.8947
Pocket No.: 5; Query (leader) PDB : 2XIQ; Ligand: MLC; Similar sites found with APoc: 6
This union binding pocket(no: 5) in the query (biounit: 2xiq.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 4RPM HXC 1.47783
2 2YBP 2HG 1.83727
3 2YNE YNE 2.08333
4 2YNE NHW 2.08333
5 5IXG OTP 4.14201
6 1B09 PC 4.36893
Pocket No.: 6; Query (leader) PDB : 2XIQ; Ligand: 5AD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2xiq.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2XIQ; Ligand: 5AD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2xiq.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2XIQ; Ligand: MLC; Similar sites found with APoc: 9
This union binding pocket(no: 8) in the query (biounit: 2xiq.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 1S5O 152 2.5974
2 2IGA XX3 5.47945
3 2IGA XXP 5.47945
4 4EE7 PIS 5.59211
5 1FH8 XYP XIF 5.76923
6 4INI AMP 7.69231
7 2E27 AB0 12.6984
8 3GM5 CIT 14.4654
9 5XEG AKG 17.7489
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