Summary Geometry PCM/PTM Related PDB entries

DW5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9A	C9	sing	1.50Å	1.49Å
C13	C12	doub	1.36Å	1.50Å
C9	C8	doub	1.42Å	1.36Å	Aromatic
C9	N10	sing	1.33Å	1.37Å	Aromatic
C12	PT	sing	2.05Å	2.13Å
C8	C7	sing	1.36Å	1.38Å	Aromatic
C11	PT	sing	2.04Å	2.15Å
N10	PT	sing	1.97Å	2.05Å
N10	C10	doub	1.36Å	1.30Å	Aromatic
PT	N1	sing	1.97Å	2.20Å
C7	C6A	doub	1.40Å	1.37Å	Aromatic
C10	C6A	sing	1.41Å	1.39Å	Aromatic
C10	C1A	sing	1.45Å	1.36Å	Aromatic
C6A	C6	sing	1.43Å	1.39Å	Aromatic
N1	C1A	doub	1.36Å	1.33Å	Aromatic
N1	C2	sing	1.33Å	1.38Å	Aromatic
C1A	C4A	sing	1.41Å	1.39Å	Aromatic
C6	C5	doub	1.34Å	1.37Å	Aromatic
C2A	C2	sing	1.50Å	1.46Å
C2	C3	doub	1.42Å	1.39Å	Aromatic
C4A	C5	sing	1.43Å	1.37Å	Aromatic
C4A	C4	doub	1.40Å	1.39Å	Aromatic
C3	C4	sing	1.36Å	1.40Å	Aromatic
C11	H1	sing	0.95Å	1.10Å
C11	H2	sing	0.95Å	1.10Å
C11	H3	sing	0.94Å	1.10Å
C7	H6	sing	0.95Å	1.08Å
C6	H7	sing	0.94Å	1.08Å
C5	H8	sing	0.94Å	1.08Å
C4	H9	sing	0.95Å	1.08Å
C3	H10	sing	0.94Å	1.08Å
C8	H11	sing	0.94Å	1.08Å
C2A	H12	sing	0.97Å	1.10Å
C2A	H13	sing	0.97Å	1.10Å
C2A	H14	sing	0.97Å	1.10Å
C9A	H15	sing	0.97Å	1.10Å
C9A	H16	sing	0.97Å	1.10Å
C9A	H17	sing	0.97Å	1.10Å
C13	PT	sing	2.36Å	2.70Å
H4	C12	sing	0.98Å	1.10Å
H5	C12	sing	0.98Å	1.10Å
H18	C13	sing	0.98Å	1.10Å
H19	C13	sing	0.98Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9A	C9	C8	132.4°	121.1°
C9A	C9	N10	110.9°	117.5°
C9	C9A	H15	109.5°	109.8°
C9	C9A	H16	109.5°	110.0°
C9	C9A	H17	109.5°	109.7°
C13	C12	PT	94.6°	85.2°
C12	C13	PT	51.8°	59.9°
C13	C12	H4	113.1°	120.5°
C13	C12	H5	113.1°	120.6°
C12	C13	H18	121.3°	120.5°
C12	C13	H19	121.3°	120.6°
C8	C9	N10	116.7°	121.4°
C9	C8	C7	123.4°	119.8°
C9	C8	H11	118.3°	119.8°
C9	N10	PT	124.9°	133.6°
C9	N10	C10	123.4°	119.2°
C12	PT	C11	99.2°	93.1°
C12	PT	N10	141.9°	134.9°
C12	PT	N1	135.7°	136.1°
C12	PT	C13	33.6°	34.9°
PT	C12	H4	113.1°	82.3°
PT	C12	H5	113.1°	102.9°
C8	C7	C6A	116.1°	120.1°
C8	C7	H6	122.0°	120.1°
C7	C8	H11	118.3°	120.4°
C11	PT	N10	76.9°	90.9°
C11	PT	N1	74.0°	90.8°
PT	C11	H1	109.5°	109.5°
PT	C11	H2	109.4°	109.5°
PT	C11	H3	109.5°	109.5°
C11	PT	C13	102.6°	126.8°
PT	N10	C10	111.4°	107.1°
N10	PT	N1	80.4°	88.7°
N10	PT	C13	109.4°	130.2°
N10	C10	C6A	118.9°	122.3°
N10	C10	C1A	119.9°	118.5°
PT	N1	C1A	104.1°	107.0°
PT	N1	C2	136.3°	133.7°
N1	PT	C13	168.9°	117.8°
C7	C6A	C10	121.5°	117.1°
C7	C6A	C6	117.9°	123.2°
C6A	C7	H6	121.9°	119.8°
C6A	C10	C1A	121.3°	119.1°
C10	C6A	C6	120.6°	119.6°
C10	C1A	N1	123.5°	118.6°
C10	C1A	C4A	117.3°	119.1°
C6A	C6	C5	118.2°	121.3°
C6A	C6	H7	120.9°	119.1°
C1A	N1	C2	119.2°	119.2°
N1	C1A	C4A	119.2°	122.3°
N1	C2	C2A	114.7°	117.6°
N1	C2	C3	123.1°	121.3°
C1A	C4A	C5	121.9°	119.6°
C1A	C4A	C4	123.5°	117.2°
C6	C5	C4A	120.7°	121.3°
C5	C6	H7	120.9°	119.6°
C6	C5	H8	119.7°	119.6°
C2A	C2	C3	122.2°	121.1°
C2	C2A	H12	109.5°	110.0°
C2	C2A	H13	109.5°	109.8°
C2	C2A	H14	109.5°	109.7°
C2	C3	C4	117.9°	119.9°
C2	C3	H10	121.0°	119.8°
C5	C4A	C4	114.5°	123.2°
C4A	C5	H8	119.7°	119.1°
C4A	C4	C3	117.0°	120.1°
C4A	C4	H9	121.4°	119.8°
C3	C4	H9	121.5°	120.1°
C4	C3	H10	121.0°	120.4°
H1	C11	H2	109.5°	109.4°
H1	C11	H3	109.4°	109.5°
H2	C11	H3	109.5°	109.4°
H12	C2A	H13	109.5°	108.9°
H12	C2A	H14	109.5°	109.2°
H13	C2A	H14	109.5°	109.2°
H15	C9A	H16	109.5°	108.9°
H15	C9A	H17	109.5°	109.2°
H16	C9A	H17	109.4°	109.2°
PT	C13	H18	121.3°	114.0°
PT	C13	H19	121.3°	95.9°
H4	C12	H5	109.5°	119.0°
H18	C13	H19	109.5°	118.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9A	C9	C8	N10	176.6°	179.7°
C9A	C9	C8	C7	178.8°	180.0°
C9A	C9	N10	PT	6.5°	1.5°
C9A	C9	N10	C10	179.6°	180.0°
C9A	C9	C8	H11	1.2°	0.2°
C9	C9A	H15	H16	120.0°	120.5°
C9	C9A	H15	H17	120.0°	120.4°
C9	C9A	H16	H17	120.0°	120.5°
C13	C12	PT	H4	117.5°	121.6°
C13	C12	PT	H5	117.5°	120.3°
C13	C12	PT	C11	99.0°	166.2°
C13	C12	PT	N10	18.6°	99.6°
C12	C13	PT	N1	17.1°	131.9°
C12	C13	PT	H18	107.2°	112.6°
C12	C13	PT	H19	107.2°	122.2°
C13	C12	H4	H5	127.0°	179.7°
C12	C13	H18	H19	149.3°	180.0°
C9	C8	C7	H11	180.0°	179.8°
C8	C9	N10	PT	170.8°	178.3°
C8	C9	N10	C10	3.0°	0.2°
C9	C8	C7	C6A	0.1°	0.1°
C9	C8	C7	H6	180.0°	179.9°
C8	C9	C9A	H15	180.0°	150.3°
C8	C9	C9A	H16	60.0°	30.5°
C8	C9	C9A	H17	60.0°	89.7°
C9	N10	PT	C12	14.3°	5.8°
N10	C9	C8	C7	2.2°	0.2°
C9	N10	PT	C11	102.5°	89.3°
C9	N10	PT	C10	174.5°	178.6°
C9	N10	PT	N1	178.1°	179.8°
C9	N10	C10	C6A	1.5°	0.1°
C9	N10	C10	C1A	178.9°	179.9°
N10	C9	C8	H11	177.8°	180.0°
N10	C9	C9A	H15	3.2°	30.0°
N10	C9	C9A	H16	116.8°	149.8°
N10	C9	C9A	H17	123.2°	90.1°
C9	N10	PT	C13	3.6°	53.5°
C12	PT	C11	N10	141.4°	135.0°
C12	PT	C11	N1	135.1°	136.3°
C12	PT	N10	N1	163.8°	174.0°
C12	PT	N10	C10	171.2°	175.5°
C12	PT	N1	C1A	172.8°	175.4°
C12	PT	N1	C2	14.6°	6.1°
C12	PT	C11	H1	180.0°	89.1°
C12	PT	C11	H2	60.0°	30.9°
C12	PT	C11	H3	60.0°	150.9°
PT	C12	H4	H5	127.0°	100.5°
C8	C7	C6A	H6	180.0°	180.0°
C8	C7	C6A	C10	1.7°	0.0°
C8	C7	C6A	C6	179.3°	179.9°
C11	PT	N10	N1	75.6°	90.8°
C11	PT	N10	C13	98.9°	142.9°
C11	PT	N10	C10	83.0°	89.3°
C11	PT	N1	C13	73.2°	133.3°
C11	PT	N1	C1A	86.1°	89.3°
C11	PT	N1	C2	101.3°	89.2°
PT	C11	H1	H2	120.0°	120.0°
PT	C11	H1	H3	120.0°	120.1°
PT	C11	H2	H3	120.0°	120.0°
C11	PT	C12	H4	143.5°	72.2°
C11	PT	C12	H5	18.5°	45.9°
C11	PT	C13	H18	19.5°	95.2°
C11	PT	C13	H19	165.2°	139.5°
N10	PT	N1	C13	152.2°	135.9°
PT	N10	C10	C6A	173.1°	178.8°
PT	N10	C10	C1A	6.6°	1.2°
N10	PT	N1	C1A	7.1°	1.5°
N10	PT	N1	C2	179.7°	179.9°
N10	PT	C11	H1	38.6°	135.9°
N10	PT	C11	H2	158.6°	104.1°
N10	PT	C11	H3	81.3°	15.9°
N10	PT	C12	H4	136.1°	22.1°
N10	PT	C12	H5	98.9°	140.1°
N10	PT	C13	H18	60.8°	133.7°
N10	PT	C13	H19	84.9°	8.4°
C10	N10	PT	N1	7.4°	1.5°
N10	C10	C6A	C7	1.0°	0.0°
N10	C10	C6A	C1A	179.6°	180.0°
N10	C10	C6A	C6	179.9°	179.9°
N10	C10	C1A	N1	0.4°	0.0°
N10	C10	C1A	C4A	178.9°	180.0°
C10	N10	PT	C13	178.0°	127.8°
PT	N1	C1A	C10	6.4°	1.3°
PT	N1	C1A	C2	174.2°	178.8°
PT	N1	C1A	C4A	175.1°	178.7°
PT	N1	C2	C2A	7.5°	1.6°
PT	N1	C2	C3	171.3°	178.3°
N1	PT	C11	H1	44.9°	47.2°
N1	PT	C11	H2	75.1°	167.2°
N1	PT	C11	H3	164.9°	72.8°
N1	PT	C12	H4	67.2°	166.6°
N1	PT	C12	H5	57.9°	48.6°
N1	PT	C13	H18	90.1°	19.3°
N1	PT	C13	H19	124.2°	105.9°
C7	C6A	C10	C6	178.9°	179.9°
C7	C6A	C10	C1A	178.7°	180.0°
C7	C6A	C6	C5	178.6°	180.0°
C7	C6A	C6	H7	1.5°	0.1°
C6A	C7	C8	H11	180.0°	179.9°
C6A	C10	C1A	N1	180.0°	180.0°
C6A	C10	C1A	C4A	1.5°	0.0°
C10	C6A	C6	C5	0.4°	0.1°
C10	C6A	C7	H6	178.3°	180.0°
C10	C6A	C6	H7	179.6°	180.0°
C1A	C10	C6A	C6	0.3°	0.1°
C10	C1A	N1	C4A	178.4°	180.0°
C10	C1A	N1	C2	179.4°	180.0°
C10	C1A	C4A	C5	3.0°	0.1°
C10	C1A	C4A	C4	179.0°	180.0°
C6A	C6	C5	H7	180.0°	179.9°
C6A	C6	C5	C4A	1.9°	0.1°
C6	C6A	C7	H6	0.6°	0.1°
C6A	C6	C5	H8	178.1°	180.0°
C1A	N1	C2	C2A	179.3°	179.9°
C1A	N1	C2	C3	0.5°	0.1°
N1	C1A	C4A	C5	178.5°	180.0°
N1	C1A	C4A	C4	2.5°	0.0°
C1A	N1	PT	C13	159.3°	137.4°
C2	N1	C1A	C4A	1.0°	0.1°
N1	C2	C2A	C3	178.9°	179.8°
N1	C2	C3	C4	0.5°	0.1°
N1	C2	C3	H10	179.5°	179.9°
N1	C2	C2A	H12	180.0°	150.0°
N1	C2	C2A	H13	60.0°	30.2°
N1	C2	C2A	H14	60.0°	89.8°
C2	N1	PT	C13	28.0°	44.0°
C1A	C4A	C5	C6	3.3°	0.1°
C1A	C4A	C5	C4	176.3°	179.9°
C1A	C4A	C4	C3	2.5°	0.0°
C1A	C4A	C5	H8	176.7°	180.0°
C1A	C4A	C4	H9	177.5°	180.0°
C6	C5	C4A	H8	180.0°	179.9°
C6	C5	C4A	C4	179.5°	180.0°
C2A	C2	C3	C4	179.3°	179.9°
C2A	C2	C3	H10	0.7°	0.1°
C2	C2A	H12	H13	120.0°	120.4°
C2	C2A	H12	H14	120.0°	120.5°
C2	C2A	H13	H14	120.0°	120.3°
C2	C3	C4	C4A	1.0°	0.1°
C2	C3	C4	H10	180.0°	180.0°
C2	C3	C4	H9	179.1°	179.9°
C3	C2	C2A	H12	1.1°	30.2°
C3	C2	C2A	H13	118.9°	150.0°
C3	C2	C2A	H14	121.1°	90.0°
C5	C4A	C4	C3	178.7°	180.0°
C4A	C5	C6	H7	178.1°	180.0°
C5	C4A	C4	H9	1.3°	0.0°
C4A	C4	C3	H9	180.0°	180.0°
C4	C4A	C5	H8	0.5°	0.1°
C4A	C4	C3	H10	179.0°	180.0°
H1	C11	H2	H3	120.0°	120.0°
H1	C11	PT	C13	145.9°	79.2°
H2	C11	PT	C13	94.1°	40.7°
H3	C11	PT	C13	26.0°	160.7°
H6	C7	C8	H11	0.0°	0.1°
H7	C6	C5	H8	1.9°	0.1°
H9	C4	C3	H10	0.9°	0.1°
H12	C2A	H13	H14	120.0°	119.2°
H15	C9A	H16	H17	120.0°	119.2°
PT	C13	H18	H19	149.3°	112.0°
H4	C12	C13	H18	135.4°	180.0°
H4	C12	C13	H19	10.3°	0.0°
H5	C12	C13	H18	10.3°	0.3°
H5	C12	C13	H19	135.4°	179.7°

Release date:	2018-04-25
Definition date:	2018-02-02
Last modified:	2026-09-16
Release status:	REL
Processing site:	RCSB
Derived from:	6F60