Receptor
PDB id Resolution Class Description Source Keywords
1Y0G 2.2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI YCEI PROTEIN, STRUCTURAL GENOMICS ESCHERICHIA COLI LIPID BINDING PROTEIN LIPOCALIN COFACTOR COENZYME DEHYDROGENASE HYDROLASE PREDICTED STRUCTURAL GENOMICS PROTEIN STRUCTURE INITIATIVE PSI NYSGXRC NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS
Ref.: CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI YCEI PERIPLASMIC PROTEIN TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8PP A:320;
B:321;
C:322;
D:323;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
639.047 C46 H70 O CC(=C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Y0G 2.2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI YCEI PROTEIN, STRUCTURAL GENOMICS ESCHERICHIA COLI LIPID BINDING PROTEIN LIPOCALIN COFACTOR COENZYME DEHYDROGENASE HYDROLASE PREDICTED STRUCTURAL GENOMICS PROTEIN STRUCTURE INITIATIVE PSI NYSGXRC NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS
Ref.: CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI YCEI PERIPLASMIC PROTEIN TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1Y0G - 8PP C46 H70 O CC(=CCCC(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1Y0G - 8PP C46 H70 O CC(=CCCC(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 1Y0G - 8PP C46 H70 O CC(=CCCC(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 8PP; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 8PP 1 1
2 MQ7 0.447761 0.742857
3 MQ9 0.447761 0.742857
4 UQ6 0.409091 0.769231
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Y0G; Ligand: 8PP; Similar sites found: 164
This union binding pocket(no: 1) in the query (biounit: 1y0g.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3GM5 CIT 0.01324 0.44064 None
2 5H9P TD2 0.01659 0.43596 None
3 4L4J NAG NAG BMA MAN NAG 0.01245 0.42443 None
4 4DSU BZI 0.04967 0.4119 None
5 1SGJ OAA 0.01608 0.43314 1.05634
6 5HZX 2GE 0.04415 0.405 1.13636
7 2WA4 069 0.008788 0.43782 1.57068
8 5MBC FMN 0.02042 0.41216 1.57068
9 3ZJQ NCA 0.02599 0.40744 1.57068
10 2I6A 5I5 0.02473 0.40205 1.57068
11 1H8S AIC 0.007452 0.45026 1.5873
12 3M3E GAL A2G NPO 0.007244 0.46699 1.86335
13 3AVR OGA 0.02445 0.42774 2.09424
14 4P87 4NP 0.04341 0.41276 2.09424
15 4HN1 TYD 0.04596 0.40407 2.09424
16 3VV1 GAL FUC 0.01724 0.43577 2.5
17 5HA0 LTD 0.006709 0.41097 2.5641
18 4XBT 3ZQ 0.03102 0.40963 2.58065
19 2OVW CBI 0.01635 0.43631 2.6178
20 4N14 WR7 0.02572 0.42024 2.6178
21 3B00 16A 0.03435 0.41081 2.6178
22 3ACL 3F1 0.02258 0.41001 2.6178
23 4QCK ASD 0.02655 0.40974 2.6178
24 4ZU4 4TG 0.0197 0.40674 2.7027
25 2YG2 FLC 0.005271 0.41539 2.90698
26 2YG2 S1P 0.01039 0.41087 2.90698
27 2CDO GAL AAL GAL AAL GAL AAL 0.02112 0.42316 3.125
28 5MOB A8S 0.009547 0.4401 3.14136
29 4OCT AKG 0.01175 0.43537 3.14136
30 1OIJ AKG 0.02451 0.42936 3.14136
31 5F2T PLM 0.01553 0.41803 3.14136
32 3ITA AIC 0.02867 0.40846 3.14136
33 2OVD DAO 0.02823 0.42325 3.2967
34 5I8T LAC 0.009467 0.44938 3.35196
35 4RF7 ARG 0.001997 0.4427 3.66492
36 1C5C TK4 0.02385 0.42765 3.66492
37 5AIG VPR 0.01418 0.43108 4
38 3WDX BGC BGC BGC 0.005884 0.4315 4.18848
39 3WDX BGC BGC GLC 0.005903 0.42807 4.18848
40 1H4H XYP XYS XYP 0.01336 0.42124 4.18848
41 2AXR ABL 0.03319 0.42124 4.18848
42 1QVJ RP5 0.03351 0.41997 4.18848
43 1U0A BGC BGC BGC BGC 0.01486 0.41896 4.18848
44 1RQH PYR 0.03267 0.41219 4.18848
45 4S00 AKR 0.0314 0.40755 4.18848
46 1NE6 SP1 0.03528 0.40041 4.18848
47 1KQW RTL 0.01522 0.41516 4.47761
48 2P7Q GG6 0.02557 0.42145 4.51128
49 5FUI APY 0.006536 0.43305 4.54545
50 1OGX EQU 0.0112 0.42861 4.58015
51 5LN8 GAL 0.04288 0.41669 4.58015
52 5X7Q GLC GLC GLC GLC GLC 0.01111 0.44546 4.71204
53 5X7Q GLC GLC GLC GLC 0.01089 0.44445 4.71204
54 2NLR BGC BGC G2F SHG 0.006351 0.44095 4.71204
55 5FQK 6NT 0.01606 0.43835 4.71204
56 2WEI VGG 0.007785 0.43652 4.71204
57 5C3R HMU 0.00726 0.43063 4.71204
58 5C3R AKG 0.00726 0.43063 4.71204
59 3O2K DST 0.03153 0.42051 4.71204
60 1Y7P RIP 0.02358 0.41481 4.71204
61 1V08 NTZ 0.02181 0.40762 4.71204
62 4RW3 IPD 0.04849 0.40633 4.71204
63 4K55 H6P 0.0009143 0.51436 4.83871
64 3QP8 HL0 0.002736 0.45499 4.8913
65 3TL1 JRO 0.02307 0.42804 5.03145
66 4JH6 FCN 0.005372 0.45788 5.07246
67 1KTG AMP 0.0187 0.43236 5.07246
68 4WN5 MVC 0.0075 0.41718 5.21739
69 1MEX RAC 0.004229 0.45861 5.2356
70 4AMW 5DI 0.01704 0.43667 5.2356
71 3TTM PUT 0.02655 0.41689 5.2356
72 3GNP SOG 0.02081 0.41508 5.2356
73 1OJJ GLC GAL 0.04158 0.40998 5.2356
74 3SLS 77D 0.03729 0.40226 5.2356
75 4JHG ZEA 0.01634 0.41694 5.35714
76 1ERB ETR 0.001041 0.4419 5.46448
77 5OO5 UUA 0.02765 0.40565 5.64516
78 4R38 RBF 0.01623 0.41072 5.71429
79 1IIU RTL 0.01224 0.41051 5.74713
80 4WOE ADP 0.00847 0.45485 5.75916
81 5J3Z 6FQ 0.02328 0.43233 5.75916
82 5HV0 AKG 0.01816 0.41806 5.75916
83 1Z03 OCH 0.0458 0.41146 5.75916
84 4IAW LIZ 0.04985 0.40219 5.85106
85 3DZ6 PUT 0.02993 0.41395 5.97015
86 5BVB DOG 0.02314 0.40948 6.06061
87 5NBW 8SK 0.007271 0.44203 6.28272
88 4XCB AKG 0.03433 0.41845 6.28272
89 3URB DPF 0.04959 0.41013 6.28272
90 4D2S DYK 0.03782 0.40517 6.28272
91 1ODM ASV 0.01312 0.40112 6.28272
92 5W4W 9WG 0.007827 0.4008 6.28272
93 3SE5 ANP 0.03517 0.40047 6.70732
94 1ND2 MYR 0.007156 0.43836 6.80628
95 3JQ3 ADP 0.01426 0.43095 6.80628
96 3I4X DST 0.01915 0.42822 6.80628
97 1ZM1 BGC BGC BGC 0.01922 0.41346 6.80628
98 4J25 OGA 0.04812 0.41075 6.80628
99 1GT4 UNA 0.0168 0.41634 6.91824
100 3BRN SRO 0.01095 0.44568 7.00637
101 4M1U A2G MBG 0.003579 0.46491 7.14286
102 5J8O 6GZ 0.01301 0.42181 7.25806
103 2ARC ARA 0.02202 0.42496 7.31707
104 2CM4 RCL 0.001056 0.45866 7.33333
105 5LJB RTL 0.01423 0.41042 7.40741
106 2HKA C3S 0.01093 0.41883 7.69231
107 2ET1 GLV 0.0102 0.44939 7.8534
108 3T7V MD0 0.03858 0.41562 7.8534
109 3ZGJ RMN 0.03882 0.41548 7.8534
110 2GVJ DGB 0.01177 0.41423 7.8534
111 2Z77 HE7 0.004242 0.42512 7.91367
112 2BYC FMN 0.01927 0.41676 8.0292
113 4ZSI 4R1 0.008551 0.43075 8.18713
114 3RGA LSB 0.001423 0.46887 8.37696
115 5JSP DQY 0.02294 0.42725 8.37696
116 2HZQ STR 0.03209 0.42088 8.62069
117 2AGC DAO 0.03552 0.4137 8.64198
118 2PFC PLM 0.03418 0.40745 8.74317
119 3IWD M2T 0.01389 0.44021 8.82353
120 3KFF XBT 0.0264 0.4248 9.25926
121 3KFF ZBT 0.0264 0.4248 9.25926
122 1OW4 2AN 0.04585 0.40081 9.30233
123 2R5V HHH 0.0399 0.40396 9.42408
124 3W9R A8S 0.04211 0.40274 10.0529
125 5FKP 6UL 0.005289 0.41011 10.101
126 2BOS GLA GAL GLC 0.001109 0.486 10.2941
127 2BOS GLA GAL 0.002088 0.45907 10.2941
128 4H69 10Y 0.01506 0.42215 10.4712
129 5H2D ERG 0.01464 0.40424 10.4712
130 2GWH PCI 0.0483 0.40292 10.4712
131 1I06 TZL 0.009108 0.45031 10.5556
132 1N5S ADL 0.01762 0.41532 10.7143
133 1QY1 PRZ 0.008365 0.41801 10.9195
134 3T50 FMN 0.02143 0.405 10.9375
135 5EPQ OLA 0.02193 0.41063 10.9756
136 4H6B 10Y 0.005966 0.45079 11.5183
137 4H6B 10X 0.007403 0.44163 11.5183
138 4AZI OAN 0.01786 0.42582 11.5183
139 4QDC ASD 0.02504 0.40778 11.5183
140 5V3D FCN 0.001256 0.50304 11.7241
141 4ZYB 4SQ 0.03064 0.41719 11.9403
142 4RJD TFP 0.0448 0.40577 12.1212
143 2DIO EOD 0.0124 0.42639 12.234
144 4WUJ FMN 0.02593 0.40107 12.2449
145 4IP7 FLC 0.01673 0.43576 12.5654
146 1XL8 152 0.04885 0.40986 13.089
147 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.00857 0.42381 13.2743
148 5KWY C3S 0.008886 0.42994 14.1361
149 5C9J STE 0.008871 0.41991 14.1414
150 1DZK PRZ 0.01134 0.42833 14.6497
151 5ISY NAD 0.02208 0.41727 14.6597
152 4FFG 0U8 0.001948 0.48706 15.1832
153 4FFG LBS 0.004324 0.43832 15.1832
154 5I0U DCY 0.04447 0.40484 15.1832
155 5H9O GLC 0.04701 0.40025 15.9091
156 4KCT PYR 0.03045 0.41734 16.2304
157 5K21 6QF 0.02836 0.41522 16.3121
158 5J75 6GQ 0.01513 0.42204 16.7539
159 4CCN OGA 0.03512 0.41751 17.1429
160 1OF4 BMA BMA BMA BMA BMA 0.04763 0.41065 18.9944
161 4XT2 43L 0.01197 0.40813 22.314
162 5KEW 6SB 0.01151 0.44643 23.4043
163 5IXH OTP 0.00000000005694 0.65001 27.9503
164 2Y69 CHD 0.03405 0.42194 29.7297
Pocket No.: 2; Query (leader) PDB : 1Y0G; Ligand: 8PP; 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: 1y0g.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1Y0G; Ligand: 8PP; Similar sites found: 33
This union binding pocket(no: 3) in the query (biounit: 1y0g.bio2) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UNB AKG 0.006368 0.40682 1.57068
2 4GQP B40 0.01204 0.43886 2.09424
3 4EE7 PIS 0.02745 0.41359 2.09424
4 5CJF 520 0.04677 0.40036 2.09424
5 3B6R ADP 0.02188 0.41068 2.6178
6 1U6R ADP 0.02186 0.40758 2.6178
7 3EQO LGC 0.0467 0.40722 2.6178
8 2GQS ADP 0.03435 0.40098 2.6178
9 4NPL AKG 0.03765 0.41499 3.14136
10 1JL0 PUT 0.02207 0.40453 3.14136
11 3DGB MUC 0.02689 0.41285 3.66492
12 1A0T SUC 0.03739 0.41095 3.66492
13 4OCX MT1 0.03118 0.41303 3.7037
14 5BU3 4W9 0.01905 0.40177 4.34783
15 4KYS VIB 0.02016 0.43129 4.71204
16 5H2U 1N1 0.01799 0.41826 4.71204
17 2QX0 PH2 0.02935 0.42746 5.03145
18 1N9L FMN 0.01526 0.41198 5.50459
19 4U0W 16G 0.005601 0.43604 5.75916
20 1I7M PUT 0.01548 0.41144 5.97015
21 2YOO K2B 0.02387 0.40278 6.28272
22 1SZ0 M6P 0.04677 0.40553 6.80628
23 1SN0 T44 0.02398 0.41541 6.92308
24 2YKL NLD 0.003994 0.45533 7.32984
25 3MKK GLC BGC 0.01589 0.42848 7.32984
26 3PGU OLA 0.0459 0.4041 7.32984
27 5U9J GER 0.04087 0.41422 7.69231
28 4DOL PLM 0.02848 0.40201 7.8534
29 5XNA SHV 0.01801 0.42965 8.69565
30 4D1J DGJ 0.04426 0.41046 8.90052
31 4XH0 ADP 0.02983 0.42337 9.94764
32 3A23 GAL 0.02287 0.42825 10.9948
33 4YMJ 4EJ 0.04594 0.4136 13.6126
Pocket No.: 4; Query (leader) PDB : 1Y0G; Ligand: 8PP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1y0g.bio2) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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