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

Measured experimental coordinates · Phase 6C.1

3L42 · BRPF1 PWWP1

Source chain A, canonical annotation-core residues 1085–1168. X-RAY DIFFRACTION · reported 1.3 Å. Original-coordinate SHA-256: 31b1f56bccf2d882b6a14bb4017b8f1bc479cb8ca64f9af34fe120f5b5965ba3.

84Core residues with observed coordinates (84 annotated)
32Missing heavy side-chain atoms in observed core
1Experimental models evaluated
0Source-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
1840323270

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.

No verified research-ligand local environment is assigned to this chain/domain. It may be apo, structurally incomplete, or lack the necessary source-role verification.

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
1085 / 8ALAYes————; occupancy ≥ 1.0
1086 / 9LEUYes————; occupancy ≥ 1.0
1087 / 10ASPYes————; occupancy ≥ 1.0
1088 / 11LEUYes————; occupancy ≥ 1.0
1089 / 12VALYes————; occupancy ≥ 1.0
1090 / 13TRPYes————; occupancy ≥ 1.0
1091 / 14ALAYes————; occupancy ≥ 1.0
1092 / 15LYSYes————; occupancy ≥ 1.0
1093 / 16CYSYes————; occupancy ≥ 1.0
1094 / 17ARGYes————; occupancy ≥ 1.0
1095 / 18GLYYes————; occupancy ≥ 1.0
1096 / 19TYRYes————; occupancy ≥ 1.0
1097 / 20PROYes————; occupancy ≥ 1.0
1098 / 21SERYes————; occupancy ≥ 1.0
1099 / 22TYRYes———A, B; occupancy ≥ 0.5
1100 / 23PROYes————; occupancy ≥ 1.0
1101 / 24ALAYes————; occupancy ≥ 1.0
1102 / 25LEUYes————; occupancy ≥ 1.0
1103 / 26ILEYes————; occupancy ≥ 1.0
1104 / 27ILEYes———A, B; occupancy ≥ 0.5
1105 / 28ASPYes————; occupancy ≥ 1.0
1106 / 29PROYes————; occupancy ≥ 1.0
1107 / 30LYSYes—CE, NZCE, NZ—; occupancy ≥ 1.0
1108 / 31METYes———A, B; occupancy ≥ 0.5
1109 / 32PROYes————; occupancy ≥ 1.0
1110 / 33ARGYes—CD, CG, CZ, NE, NH1, NH2CD, CG, CZ, NE, NH1, NH2—; occupancy ≥ 1.0
1111 / 34GLUYes—CD, CG, OE1, OE2CD, CG, OE1, OE2—; occupancy ≥ 1.0
1112 / 35GLYYes————; occupancy ≥ 1.0
1113 / 36METYes————; occupancy ≥ 1.0
1114 / 37PHEYes————; occupancy ≥ 1.0
1115 / 38HISYes————; occupancy ≥ 1.0
1116 / 39HISYes————; occupancy ≥ 1.0
1117 / 40GLYYes————; occupancy ≥ 1.0
1118 / 41VALYes————; occupancy ≥ 1.0
1119 / 42PROYes————; occupancy ≥ 1.0
1120 / 43ILEYes————; occupancy ≥ 1.0
1121 / 44PROYes————; occupancy ≥ 1.0
1122 / 45VALYes————; occupancy ≥ 1.0
1123 / 46PROYes————; occupancy ≥ 1.0
1124 / 47PROYes————; occupancy ≥ 1.0
1125 / 48LEUYes————; occupancy ≥ 1.0
1126 / 49GLUYes—CD, CG, OE1, OE2CD, CG, OE1, OE2—; occupancy ≥ 1.0
1127 / 50VALYes————; occupancy ≥ 1.0
1128 / 51LEUYes————; occupancy ≥ 1.0
1129 / 52LYSYes—CD, CE, NZCD, CE, NZ—; occupancy ≥ 1.0
1130 / 53LEUYes————; occupancy ≥ 1.0
1131 / 54GLYYes————; occupancy ≥ 1.0
1132 / 55GLUYes————; occupancy ≥ 1.0
1133 / 56GLNYes————; occupancy ≥ 1.0
1134 / 57METYes————; occupancy ≥ 1.0
1135 / 58THRYes———A, B; occupancy ≥ 0.5
1136 / 59GLNYes————; occupancy ≥ 1.0
1137 / 60GLUYes————; occupancy ≥ 1.0
1138 / 61ALAYes————; occupancy ≥ 1.0
1139 / 62ARGYes—CD, CG, CZ, NE, NH1, NH2CD, CG, CZ, NE, NH1, NH2—; occupancy ≥ 1.0
1140 / 63GLUYes—CD, OE1, OE2CD, OE1, OE2—; occupancy ≥ 1.0
1141 / 64HISYes————; occupancy ≥ 1.0
1142 / 65LEUYes————; occupancy ≥ 1.0
1143 / 66TYRYes————; occupancy ≥ 1.0
1144 / 67LEUYes————; occupancy ≥ 1.0
1145 / 68VALYes————; occupancy ≥ 1.0
1146 / 69LEUYes————; occupancy ≥ 1.0
1147 / 70PHEYes————; occupancy ≥ 1.0
1148 / 71PHEYes————; occupancy ≥ 1.0
1149 / 72ASPYes————; occupancy ≥ 1.0
1150 / 73ASNYes———A, B; occupancy ≥ 0.5
1151 / 74LYSYes————; occupancy ≥ 1.0
1152 / 75ARGYes—CZ, NE, NH1, NH2CZ, NE, NH1, NH2—; occupancy ≥ 1.0
1153 / 76THRYes————; occupancy ≥ 1.0
1154 / 77TRPYes————; occupancy ≥ 1.0
1155 / 78GLNYes————; occupancy ≥ 1.0
1156 / 79TRPYes————; occupancy ≥ 1.0
1157 / 80LEUYes————; occupancy ≥ 1.0
1158 / 81PROYes————; occupancy ≥ 1.0
1159 / 82ARGYes————; occupancy ≥ 1.0
1160 / 83THRYes————; occupancy ≥ 1.0
1161 / 84LYSYes———A, B; occupancy ≥ 0.5
1162 / 85LEUYes————; occupancy ≥ 1.0
1163 / 86VALYes————; occupancy ≥ 1.0
1164 / 87PROYes————; occupancy ≥ 1.0
1165 / 88LEUYes————; occupancy ≥ 1.0
1166 / 89GLYYes————; occupancy ≥ 1.0
1167 / 90VALYes————; occupancy ≥ 1.0
1168 / 91ASNYes———A, B; occupancy ≥ 0.5

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