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

Experimental structure

6UE6

PWWP1 domain of NSD2 in complex with MR837

Co-Crystals PWWP coordinates observed X-RAY DIFFRACTION

Original coordinates

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Original coordinates are available from a locally verified historical archive or the bundled source and load on request.

Coordinate coverage

Mapped chains

8 chain / domain rows

Label and author chain identifiers are kept separately. Observed Cα counts refer to each mapped annotation core.

Protein	Label chain	Author chain	Domain	Observed Cα / core	Observed substitutions
NSD2	A	["A"]	UP:O96028:PWWP1	62 / 65	0
NSD2	B	["B"]	UP:O96028:PWWP1	65 / 65	0
NSD2	C	["C"]	UP:O96028:PWWP1	62 / 65	0
NSD2	D	["D"]	UP:O96028:PWWP1	61 / 65	0
NSD2	E	["E"]	UP:O96028:PWWP1	63 / 65	0
NSD2	F	["F"]	UP:O96028:PWWP1	60 / 65	0
NSD2	G	["G"]	UP:O96028:PWWP1	62 / 65	0
NSD2	H	["H"]	UP:O96028:PWWP1	60 / 65	0

Chemical identity

Chemical components and interpretation

2 component records

CCD	Name	Role	Full InChIKey
Q5D	4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide	experimentally studied ligand functional	WYAGGMZTARRIDX-UHFFFAOYSA-N
UNX	UNKNOWN ATOM OR ION	unknown chemical component unknown	Unresolved

Geometry, with defined scope

Independent contact evidence

Inspect 82 retained contact records

CCD / instance	Protein chain	Contact class	Minimum core / broader domain distance Å
Q5D · I	NSD2 · A	native annotation core contact	3.06 / 3.06
Q5D · KA	NSD2 · A	native annotation core contact	4.18 / 3.37
Q5D · I	NSD2 · B	native annotation core contact	3.69 / 3.63
Q5D · S	NSD2 · B	native annotation core contact	3.01 / 3.01
Q5D · EA	NSD2 · C	native annotation core contact	3.07 / 3.07
Q5D · S	NSD2 · C	native annotation core contact	3.94 / 3.45
Q5D · EA	NSD2 · D	native annotation core contact	3.72 / 3.59
Q5D · KA	NSD2 · D	native annotation core contact	3.05 / 3.05
Q5D · LB	NSD2 · E	native annotation core contact	3.81 / 3.51
Q5D · OA	NSD2 · E	native annotation core contact	3.03 / 3.03
Q5D · OA	NSD2 · F	native annotation core contact	3.7 / 3.43
Q5D · UA	NSD2 · F	native annotation core contact	3.07 / 3.07
Q5D · UA	NSD2 · G	native annotation core contact	3.87 / 3.57
Q5D · ZA	NSD2 · G	native annotation core contact	3.04 / 3.04
Q5D · LB	NSD2 · H	native annotation core contact	3.04 / 3.04
Q5D · ZA	NSD2 · H	native annotation core contact	3.91 / 3.54
UNX · J	NSD2 · A	native annotation core contact	3.64 / 3.64
UNX · K	NSD2 · A	native annotation core contact	2.92 / 2.92
UNX · L	NSD2 · A	native annotation core contact	2.74 / 2.74
UNX · M	NSD2 · A	native annotation core contact	3 / 3
UNX · N	NSD2 · A	isolated construct contact outside annotations	12.1 / 8.42
UNX · O	NSD2 · A	native annotation core contact	3.24 / 3.24
UNX · P	NSD2 · A	native annotation core contact	3 / 3
UNX · Q	NSD2 · A	broader Pfam PWWP contact	6.44 / 2.77
UNX · R	NSD2 · A	native annotation core contact	3.02 / 3.02
UNX · T	NSD2 · A	native annotation core contact	3.53 / 3.53
UNX · AA	NSD2 · B	native annotation core contact	3.1 / 3.1
UNX · BA	NSD2 · B	broader Pfam PWWP contact	6.42 / 2.89
UNX · CA	NSD2 · B	broader Pfam PWWP contact	5.69 / 2.75
UNX · DA	NSD2 · B	native annotation core contact	2.76 / 2.76
UNX · M	NSD2 · B	broader Pfam PWWP contact	5.03 / 2.81
UNX · T	NSD2 · B	broader Pfam PWWP contact	8.09 / 2.85
UNX · U	NSD2 · B	native annotation core contact	2.81 / 2.81
UNX · V	NSD2 · B	native annotation core contact	3.2 / 3.2
UNX · W	NSD2 · B	native annotation core contact	2.79 / 2.79
UNX · X	NSD2 · B	native annotation core contact	2.7 / 2.7
UNX · Y	NSD2 · B	native annotation core contact	2.9 / 2.9
UNX · Z	NSD2 · B	native annotation core contact	3.99 / 3.99
UNX · AA	NSD2 · C	broader Pfam PWWP contact	5.12 / 2.79
UNX · FA	NSD2 · C	native annotation core contact	3.18 / 3.18
UNX · GA	NSD2 · C	native annotation core contact	2.91 / 2.91
UNX · HA	NSD2 · C	native annotation core contact	2.61 / 2.61
UNX · IA	NSD2 · C	native annotation core contact	3.18 / 3.18
UNX · JA	NSD2 · C	native annotation core contact	2.79 / 2.79
UNX · LA	NSD2 · C	native annotation core contact	3.53 / 3.53
UNX · MA	NSD2 · C	native annotation core contact	2.78 / 2.78
UNX · X	NSD2 · C	broader Pfam PWWP contact	5.77 / 2.86
UNX · Y	NSD2 · C	native annotation core contact	2.7 / 2.7
UNX · FA	NSD2 · D	native annotation core contact	5 / 2.81
UNX · IA	NSD2 · D	broader Pfam PWWP contact	7.83 / 2.82
UNX · LA	NSD2 · D	broader Pfam PWWP contact	8.99 / 3.64
UNX · MA	NSD2 · D	native annotation core contact	2.75 / 2.75
UNX · NA	NSD2 · D	native annotation core contact	2.7 / 2.7
UNX · PA	NSD2 · E	native annotation core contact	2.77 / 2.77
UNX · QA	NSD2 · E	native annotation core contact	3.86 / 3.86
UNX · RA	NSD2 · E	native annotation core contact	2.68 / 2.68
UNX · SA	NSD2 · E	broader Pfam PWWP contact	8.75 / 3.27
UNX · TA	NSD2 · E	native annotation core contact	2.84 / 2.84
UNX · TA	NSD2 · F	native annotation core contact	2.82 / 2.82
UNX · VA	NSD2 · F	native annotation core contact	2.7 / 2.7
UNX · WA	NSD2 · F	native annotation core contact	2.75 / 2.75
UNX · XA	NSD2 · F	native annotation core contact	3 / 3
UNX · YA	NSD2 · F	native annotation core contact	3.75 / 3.73
UNX · AB	NSD2 · G	native annotation core contact	3.09 / 3.09
UNX · BB	NSD2 · G	native annotation core contact	3.67 / 3.67
UNX · CB	NSD2 · G	native annotation core contact	3.1 / 3.1
UNX · DB	NSD2 · G	native annotation core contact	4.25 / 3.84
UNX · EB	NSD2 · G	native annotation core contact	3.07 / 3.07
UNX · FB	NSD2 · G	native annotation core contact	3.41 / 3.41
UNX · GB	NSD2 · G	native annotation core contact	2.7 / 2.7
UNX · HB	NSD2 · G	native annotation core contact	2.62 / 2.62
UNX · IB	NSD2 · G	native annotation core contact	3.58 / 3.58
UNX · JB	NSD2 · G	native annotation core contact	3.08 / 3.08
UNX · KB	NSD2 · G	native annotation core contact	2.79 / 2.79
UNX · XA	NSD2 · G	broader Pfam PWWP contact	5.04 / 2.88
UNX · AB	NSD2 · H	broader Pfam PWWP contact	5.03 / 2.79
UNX · GB	NSD2 · H	native annotation core contact	2.62 / 2.62
UNX · JB	NSD2 · H	broader Pfam PWWP contact	7.99 / 2.79
UNX · MB	NSD2 · H	native annotation core contact	3.08 / 3.08
UNX · NB	NSD2 · H	native annotation core contact	3.42 / 3.42
UNX · OB	NSD2 · H	native annotation core contact	2.69 / 2.69
UNX · RA	NSD2 · H	native annotation core contact	2.99 / 2.99

Biological partners

No curated macromolecular partner record.

Source interpretation

Focused scientific audit

Full review queue

retain with stated interpretation/caveats. Co-crystal supported for MR837/Q5D; only chain B has all 65 annotated positions. The other seven chains are incomplete.