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Summary Geometry Related PDB entries

4ZY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.47Å	1.45Å
C1	C2	sing	1.51Å	1.47Å
C2	C7	sing	1.38Å	1.38Å	Aromatic
C2	C3	doub	1.38Å	1.37Å	Aromatic
C7	C6	doub	1.38Å	1.38Å	Aromatic
C6	C5	sing	1.39Å	1.42Å	Aromatic
C5	C4	doub	1.39Å	1.35Å	Aromatic
C5	N2	sing	1.40Å	1.37Å
C4	C3	sing	1.38Å	1.41Å	Aromatic
N1	H11N	sing	1.01Å	1.00Å
N1	H12N	sing	1.01Å	1.00Å
C1	H11C	sing	1.09Å	1.10Å
C1	H12C	sing	1.09Å	1.10Å
C7	H7	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
N2	H21N	sing	0.97Å	1.00Å
N2	H22N	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	C2	122.1°	109.5°
C1	N1	H11N	109.5°	111.0°
C1	N1	H12N	109.5°	111.0°
N1	C1	H11C	106.2°	109.5°
N1	C1	H12C	106.2°	109.5°
C1	C2	C7	126.4°	120.0°
C1	C2	C3	117.1°	119.9°
C2	C1	H11C	106.2°	109.4°
C2	C1	H12C	106.2°	109.5°
C7	C2	C3	116.5°	120.1°
C2	C7	C6	120.5°	120.1°
C2	C7	H7	119.8°	119.9°
C2	C3	C4	123.5°	120.0°
C2	C3	H3	118.3°	120.0°
C7	C6	C5	122.8°	119.9°
C6	C7	H7	119.8°	120.0°
C7	C6	H6	118.6°	120.1°
C6	C5	C4	116.2°	119.9°
C6	C5	N2	122.9°	120.1°
C5	C6	H6	118.6°	120.0°
C4	C5	N2	120.7°	120.1°
C5	C4	C3	120.3°	119.9°
C5	C4	H4	119.9°	120.0°
C5	N2	H21N	109.5°	120.0°
C5	N2	H22N	109.4°	120.0°
C4	C3	H3	118.2°	120.0°
C3	C4	H4	119.8°	120.0°
H11N	N1	H12N	109.4°	111.1°
H11C	C1	H12C	109.4°	109.4°
H21N	N2	H22N	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	C2	H11C	121.8°	120.0°
N1	C1	C2	H12C	121.7°	120.1°
N1	C1	C2	C7	28.6°	90.0°
N1	C1	C2	C3	152.9°	90.3°
C1	N1	H11N	H12N	120.0°	124.0°
N1	C1	H11C	H12C	114.3°	120.0°
C1	C2	C7	C3	178.5°	179.7°
C1	C2	C7	C6	178.5°	180.0°
C1	C2	C3	C4	177.5°	179.7°
C2	C1	N1	H11N	180.0°	56.0°
C2	C1	N1	H12N	60.0°	180.0°
C2	C1	H11C	H12C	114.3°	120.0°
C1	C2	C7	H7	1.5°	0.0°
C1	C2	C3	H3	2.5°	0.0°
C2	C7	C6	H7	180.0°	180.0°
C2	C7	C6	C5	1.6°	0.0°
C7	C2	C3	C4	1.1°	0.6°
C7	C2	C1	H11C	150.4°	30.0°
C7	C2	C1	H12C	93.1°	149.9°
C7	C2	C3	H3	178.9°	179.7°
C2	C7	C6	H6	178.5°	180.0°
C3	C2	C7	C6	0.0°	0.3°
C2	C3	C4	C5	3.9°	0.6°
C2	C3	C4	H3	180.0°	179.7°
C3	C2	C1	H11C	31.1°	149.7°
C3	C2	C1	H12C	85.4°	29.8°
C3	C2	C7	H7	180.0°	179.7°
C2	C3	C4	H4	176.2°	179.8°
C7	C6	C5	H6	180.0°	180.0°
C7	C6	C5	C4	4.1°	0.0°
C7	C6	C5	N2	179.4°	180.0°
C6	C5	C4	N2	175.4°	180.0°
C6	C5	C4	C3	5.0°	0.3°
C5	C6	C7	H7	178.4°	180.0°
C6	C5	C4	H4	175.0°	179.9°
C6	C5	N2	H21N	180.0°	0.1°
C6	C5	N2	H22N	60.0°	180.0°
C5	C4	C3	H4	180.0°	179.7°
C5	C4	C3	H3	176.1°	179.7°
C4	C5	C6	H6	175.9°	180.0°
C4	C5	N2	H21N	4.9°	180.0°
C4	C5	N2	H22N	115.1°	0.0°
N2	C5	C4	C3	179.5°	179.7°
N2	C5	C6	H6	0.6°	0.0°
N2	C5	C4	H4	0.4°	0.0°
C5	N2	H21N	H22N	120.0°	179.9°
H11N	N1	C1	H11C	58.2°	176.0°
H11N	N1	C1	H12C	58.3°	64.0°
H12N	N1	C1	H11C	61.7°	60.0°
H12N	N1	C1	H12C	178.2°	60.0°
H7	C7	C6	H6	1.5°	0.0°
H3	C3	C4	H4	3.8°	0.0°

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