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Summary Geometry Related PDB entries

NZ1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C6	sing	1.38Å	1.33Å
C6	S1	sing	1.76Å	1.76Å	Aromatic
C6	N2	doub	1.29Å	1.31Å	Aromatic
S1	C5	sing	1.76Å	1.74Å	Aromatic
N2	C7	sing	1.35Å	1.39Å	Aromatic
C5	C7	doub	1.40Å	1.40Å	Aromatic
C5	C4	sing	1.39Å	1.39Å	Aromatic
C7	C8	sing	1.41Å	1.39Å	Aromatic
C4	C3	doub	1.38Å	1.38Å	Aromatic
C8	C2	doub	1.38Å	1.39Å	Aromatic
C3	C2	sing	1.39Å	1.40Å	Aromatic
C2	O1	sing	1.36Å	1.37Å
O1	C1	sing	1.43Å	1.42Å
N1	H1	sing	0.97Å	1.00Å
N1	H2	sing	0.97Å	1.00Å
C4	H4	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C6	S1	120.4°	124.8°
N1	C6	N2	124.1°	124.9°
C6	N1	H1	109.5°	120.0°
C6	N1	H2	109.4°	120.0°
S1	C6	N2	115.5°	110.3°
C6	S1	C5	88.4°	90.5°
C6	N2	C7	109.9°	117.9°
S1	C5	C7	109.7°	108.4°
S1	C5	C4	128.9°	131.1°
N2	C7	C5	114.9°	112.9°
N2	C7	C8	125.3°	128.6°
C7	C5	C4	121.4°	120.5°
C5	C7	C8	119.7°	118.4°
C5	C4	C3	118.5°	120.3°
C5	C4	H4	120.7°	119.9°
C7	C8	C2	118.6°	120.4°
C7	C8	H6	120.7°	119.8°
C4	C3	C2	120.5°	119.9°
C3	C4	H4	120.7°	119.8°
C4	C3	H10	119.8°	120.1°
C8	C2	C3	121.2°	120.5°
C8	C2	O1	120.8°	119.7°
C2	C8	H6	120.7°	119.8°
C3	C2	O1	118.0°	119.7°
C2	C3	H10	119.8°	120.0°
C2	O1	C1	118.6°	117.0°
O1	C1	H7	109.5°	109.5°
O1	C1	H8	109.4°	109.4°
O1	C1	H9	109.5°	109.4°
H1	N1	H2	109.5°	120.0°
H7	C1	H8	109.5°	109.5°
H7	C1	H9	109.5°	109.5°
H8	C1	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C6	S1	N2	179.6°	179.9°
N1	C6	S1	C5	168.1°	180.0°
N1	C6	N2	C7	166.4°	180.0°
C6	N1	H1	H2	120.0°	179.8°
S1	C6	N2	C7	13.2°	0.0°
C6	S1	C5	C7	5.9°	0.0°
C6	S1	C5	C4	174.4°	179.9°
S1	C6	N1	H1	0.0°	0.1°
S1	C6	N1	H2	120.0°	179.7°
N2	C6	S1	C5	11.4°	0.0°
C6	N2	C7	C5	8.3°	0.0°
C6	N2	C7	C8	171.5°	179.9°
N2	C6	N1	H1	179.6°	180.0°
N2	C6	N1	H2	59.5°	0.2°
S1	C5	C7	N2	0.0°	0.0°
S1	C5	C7	C4	179.8°	179.9°
S1	C5	C7	C8	179.8°	179.9°
S1	C5	C4	C3	179.8°	179.9°
S1	C5	C4	H4	0.2°	0.1°
N2	C7	C5	C8	179.8°	179.9°
N2	C7	C5	C4	179.8°	179.9°
N2	C7	C8	C2	180.0°	179.9°
N2	C7	C8	H6	0.0°	0.1°
C7	C5	C4	C3	0.5°	0.0°
C5	C7	C8	C2	0.2°	0.0°
C7	C5	C4	H4	179.5°	179.8°
C5	C7	C8	H6	179.8°	180.0°
C4	C5	C7	C8	0.4°	0.0°
C5	C4	C3	H4	180.0°	179.8°
C5	C4	C3	C2	0.4°	0.0°
C5	C4	C3	H10	179.6°	179.8°
C7	C8	C2	H6	180.0°	180.0°
C7	C8	C2	C3	0.1°	0.0°
C7	C8	C2	O1	179.6°	180.0°
C4	C3	C2	C8	0.2°	0.0°
C4	C3	C2	H10	180.0°	179.8°
C4	C3	C2	O1	179.5°	180.0°
C8	C2	C3	O1	179.7°	180.0°
C8	C2	O1	C1	6.1°	180.0°
C8	C2	C3	H10	179.8°	179.8°
C3	C2	O1	C1	174.2°	0.0°
C2	C3	C4	H4	179.6°	179.8°
C3	C2	C8	H6	179.9°	180.0°
O1	C2	C8	H6	0.4°	0.0°
C2	O1	C1	H7	180.0°	180.0°
C2	O1	C1	H8	60.0°	60.0°
C2	O1	C1	H9	60.0°	60.0°
O1	C2	C3	H10	0.5°	0.2°
O1	C1	H7	H8	120.0°	120.0°
O1	C1	H7	H9	120.0°	120.0°
O1	C1	H8	H9	120.0°	120.0°
H4	C4	C3	H10	0.3°	0.0°
H7	C1	H8	H9	120.0°	120.1°

220472

PDB entries from 2024-05-29

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