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Summary Geometry Related PDB entries

4NZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S	N1	sing	1.65Å	1.60Å
S	O1	doub	1.42Å	1.46Å
S	O2	doub	1.42Å	1.44Å
S	C4	sing	1.76Å	1.64Å
C1	C2	doub	1.38Å	1.39Å	Aromatic
C1	C6	sing	1.38Å	1.40Å	Aromatic
C1	N7	sing	1.48Å	1.40Å
C2	C3	sing	1.38Å	1.40Å	Aromatic
C3	C4	doub	1.38Å	1.38Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	Aromatic
C5	C6	doub	1.38Å	1.39Å	Aromatic
N7	O12	doub	1.22Å	1.21Å
N7	O13	sing	1.22Å	1.23Å
N1	HN1	sing	0.97Å	1.00Å
N1	HN1A	sing	0.97Å	1.00Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	S	O1	116.1°	106.4°
N1	S	O2	109.8°	106.4°
N1	S	C4	108.6°	107.2°
S	N1	HN1	109.5°	120.1°
S	N1	HN1A	109.5°	120.0°
O1	S	O2	111.4°	123.2°
O1	S	C4	107.4°	106.4°
O2	S	C4	102.6°	106.4°
S	C4	C3	120.9°	120.0°
S	C4	C5	119.6°	120.0°
C2	C1	C6	120.2°	120.0°
C2	C1	N7	121.8°	120.0°
C1	C2	C3	119.4°	120.0°
C1	C2	H2	120.3°	120.0°
C6	C1	N7	118.0°	120.0°
C1	C6	C5	119.8°	120.0°
C1	C6	H6	120.1°	120.0°
C1	N7	O12	119.9°	120.0°
C1	N7	O13	119.0°	120.0°
C2	C3	C4	120.8°	120.0°
C3	C2	H2	120.3°	120.0°
C2	C3	H3	119.6°	120.0°
C3	C4	C5	119.5°	120.0°
C4	C3	H3	119.6°	120.0°
C4	C5	C6	120.3°	120.0°
C4	C5	H5	119.9°	120.0°
C6	C5	H5	119.9°	120.0°
C5	C6	H6	120.1°	120.0°
O12	N7	O13	121.0°	120.0°
HN1	N1	HN1A	109.4°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	S	O1	O2	126.7°	123.0°
N1	S	O1	C4	121.7°	114.1°
N1	S	O2	C4	115.3°	114.1°
N1	S	C4	C3	7.4°	90.0°
N1	S	C4	C5	175.5°	90.0°
S	N1	HN1	HN1A	120.0°	179.9°
O1	S	O2	C4	114.6°	122.9°
O1	S	C4	C3	133.7°	23.6°
O1	S	C4	C5	49.2°	156.4°
O1	S	N1	HN1	180.0°	113.6°
O1	S	N1	HN1A	60.0°	66.5°
O2	S	C4	C3	108.7°	156.4°
O2	S	C4	C5	68.4°	23.5°
O2	S	N1	HN1	52.5°	113.5°
O2	S	N1	HN1A	172.5°	66.5°
S	C4	C3	C2	179.8°	179.9°
S	C4	C3	C5	177.1°	180.0°
S	C4	C5	C6	178.2°	180.0°
C4	S	N1	HN1	58.9°	0.1°
C4	S	N1	HN1A	61.1°	180.0°
S	C4	C3	H3	0.2°	0.0°
S	C4	C5	H5	1.8°	0.1°
C2	C1	C6	N7	178.7°	179.7°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	1.8°	0.1°
C2	C1	C6	C5	2.3°	0.0°
C2	C1	N7	O12	10.3°	0.1°
C2	C1	N7	O13	172.2°	180.0°
C1	C2	C3	H3	178.2°	179.9°
C2	C1	C6	H6	177.6°	180.0°
C6	C1	C2	C3	0.7°	0.0°
C1	C6	C5	C4	1.5°	0.0°
C1	C6	C5	H6	180.0°	180.0°
C6	C1	N7	O12	168.5°	179.8°
C6	C1	N7	O13	9.1°	0.3°
C6	C1	C2	H2	179.3°	179.9°
C1	C6	C5	H5	178.5°	179.9°
N7	C1	C2	C3	178.0°	179.7°
N7	C1	C6	C5	176.4°	179.7°
C1	N7	O12	O13	177.5°	179.9°
N7	C1	C2	H2	2.0°	0.4°
N7	C1	C6	H6	3.6°	0.3°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	2.7°	0.1°
C3	C4	C5	C6	1.0°	0.0°
C4	C3	C2	H2	178.1°	180.0°
C3	C4	C5	H5	179.0°	180.0°
C4	C5	C6	H5	180.0°	179.9°
C5	C4	C3	H3	177.3°	179.9°
C4	C5	C6	H6	178.5°	180.0°
H2	C2	C3	H3	1.8°	0.1°
H5	C5	C6	H6	1.5°	0.1°

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