STRUCTURAL BIOLOGY & CHEMICAL EVIDENCEDataset v1.2 · Phase 6D · Comparative experimental recognition environments

Measured experimental coordinates · Phase 6C.1

7HHP · HDGFL2 PWWP1

Source chain B, canonical annotation-core residues 7–64. X-RAY DIFFRACTION · reported 1.78 Å. Original-coordinate SHA-256: 1c3b7d67c238bf0ad23d5d162842759e923a577a117f31d72b899460a8a4fe66.

54Core residues with observed coordinates (58 annotated)
7Missing heavy side-chain atoms in observed core
1Experimental models evaluated
1Source-supported ligand environments

Open deposited-coordinate molecular viewer Protein/domain context Original PDB entry

Model-aware structural assessment

Counts concern the annotated PWWP core. Different NMR models are evaluated independently, without averaging their coordinates into an artificial model.

ModelCore residues observedMissing backboneMissing side-chain (union)Missing side-chain (consistent conformer)Partial occupancy residuesUnassessable chemistry
15407710

Experimental ligand environments

Only separately source-classified research ligands are listed. Native annotation-core contacts and broader Pfam-fold contacts are identified separately. A simple distance is not an experimental affinity or density-quality score.

A1A3Z · calculated observed ligand environment

Deposited instance PDB:7HHP:LIG:J:A1A3Z:103:.. Closest calculated PWWP-region atom distance: 2.616 Å. Five-Å native core contacts: 8; broader-Pfam contacts: 0; source-coordinate model 1.

Limitations: partial occupancy contact atoms; multi chain environment source annotation

Canonical residueRegionProtein atomLigand atomDistance (Å)Occupancy
13 ALAnative annotation coreOC35.09891.0 / 0.68
14 LYSnative annotation coreCC35.77281.0 / 0.68
15 METnative annotation coreCGC33.28211.0 / 0.68
18 TYRnative annotation coreOHC113.55421.0 / 0.68
19 PROnative annotation coreOC35.20611.0 / 0.68
21 TRPnative annotation coreCZ3C3.51661.0 / 0.68
44 PHEnative annotation coreCE2C33.5281.0 / 0.68
45 PHEnative annotation coreOC15.94291.0 / 0.68
47 THRnative annotation coreOG1O2.6161.0 / 0.68
48 HISnative annotation coreNO5.55381.0 / 0.68
49 GLUnative annotation coreOE1O2.72311.0 / 0.68
50 THRnative annotation coreOC73.17171.0 / 0.68
51 ALAnative annotation coreCBC74.04131.0 / 0.68

Residue-level coordinate and atom completeness

"Missing" applies only to residues with observed atoms and supported chemical templates. Unobserved residues are reported separately. Alternate-conformer union presence is distinct from a single internally consistent conformer.

Canonical / entity positionComponentObservedMissing backboneMissing side-chain (union)Missing side-chain (consistent)Alt & occupancy
7 / 8PROYes————; occupancy ≥ 1.0
8 / 9GLYYes————; occupancy ≥ 1.0
9 / 10ASPYes————; occupancy ≥ 1.0
10 / 11LEUYes————; occupancy ≥ 1.0
11 / 12VALYes————; occupancy ≥ 1.0
12 / 13PHEYes————; occupancy ≥ 1.0
13 / 14ALAYes————; occupancy ≥ 1.0
14 / 15LYSYes————; occupancy ≥ 1.0
15 / 16METYes————; occupancy ≥ 1.0
16 / 17LYSYes————; occupancy ≥ 1.0
17 / 18GLYYes————; occupancy ≥ 1.0
18 / 19TYRYes————; occupancy ≥ 1.0
19 / 20PROYes————; occupancy ≥ 1.0
20 / 21HISYes————; occupancy ≥ 1.0
21 / 22TRPYes————; occupancy ≥ 1.0
22 / 23PROYes————; occupancy ≥ 1.0
23 / 24ALAYes————; occupancy ≥ 1.0
24 / 25ARGYes————; occupancy ≥ 1.0
25 / 26ILEYes————; occupancy ≥ 1.0
26 / 27ASPYes————; occupancy ≥ 1.0
27 / 28ASPYes———A, B; occupancy ≥ 0.5
28 / 29ILEYes—CD1, CG1, CG2CD1, CG1, CG2—; occupancy ≥ 1.0
29 / 30ALANo coordinates————
30 / 31ASPNo coordinates————
31 / 32GLYNo coordinates————
32 / 33ALANo coordinates————
33 / 34VALYes————; occupancy ≥ 1.0
34 / 35LYSYes—CD, CE, CG, NZCD, CE, CG, NZ—; occupancy ≥ 1.0
35 / 36PROYes————; occupancy ≥ 1.0
36 / 37PROYes————; occupancy ≥ 1.0
37 / 38PROYes————; occupancy ≥ 1.0
38 / 39ASNYes————; occupancy ≥ 1.0
39 / 40LYSYes————; occupancy ≥ 1.0
40 / 41TYRYes————; occupancy ≥ 1.0
41 / 42PROYes————; occupancy ≥ 1.0
42 / 43ILEYes————; occupancy ≥ 1.0
43 / 44PHEYes————; occupancy ≥ 1.0
44 / 45PHEYes————; occupancy ≥ 1.0
45 / 46PHEYes————; occupancy ≥ 1.0
46 / 47GLYYes————; occupancy ≥ 1.0
47 / 48THRYes————; occupancy ≥ 1.0
48 / 49HISYes————; occupancy ≥ 1.0
49 / 50GLUYes————; occupancy ≥ 1.0
50 / 51THRYes————; occupancy ≥ 1.0
51 / 52ALAYes————; occupancy ≥ 1.0
52 / 53PHEYes————; occupancy ≥ 1.0
53 / 54LEUYes————; occupancy ≥ 1.0
54 / 55GLYYes————; occupancy ≥ 1.0
55 / 56PROYes————; occupancy ≥ 1.0
56 / 57LYSYes————; occupancy ≥ 1.0
57 / 58ASPYes————; occupancy ≥ 1.0
58 / 59LEUYes————; occupancy ≥ 1.0
59 / 60PHEYes————; occupancy ≥ 1.0
60 / 61PROYes————; occupancy ≥ 1.0
61 / 62TYRYes————; occupancy ≥ 1.0
62 / 63ASPYes————; occupancy ≥ 1.0
63 / 64LYSYes————; occupancy ≥ 1.0
64 / 65SERYes————; occupancy ≥ 1.0

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