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Summary Geometry Related PDB entries

IUP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.34Å	1.40Å
N1	C6	sing	1.35Å	1.37Å
C2	N3	sing	1.36Å	1.37Å
C2	O11	doub	1.21Å	1.24Å
C6	C5	sing	1.51Å	1.51Å
C6	O13	doub	1.21Å	1.22Å
N3	C4	sing	1.36Å	1.32Å
C4	C5	sing	1.53Å	1.49Å
C4	N9	doub	1.29Å	1.34Å
C5	N7	sing	1.46Å	1.42Å
C5	O2	sing	1.43Å	1.51Å
N9	C8	sing	1.34Å	1.39Å
N7	C8	sing	1.35Å	1.35Å
C8	O24	doub	1.22Å	1.24Å
O2	O3	sing	1.47Å	1.47Å
O3	H3	sing	0.97Å	0.95Å
N1	H1	sing	0.97Å	1.00Å
N3	H31	sing	0.97Å	1.00Å
N7	H7	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	125.8°	123.8°
N1	C2	N3	122.1°	121.9°
N1	C2	O11	117.8°	119.0°
C2	N1	H1	117.1°	118.1°
N1	C6	C5	112.1°	117.9°
N1	C6	O13	123.0°	121.1°
C6	N1	H1	117.1°	118.1°
N3	C2	O11	120.1°	119.0°
C2	N3	C4	115.4°	115.1°
C2	N3	H31	122.3°	122.4°
C5	C6	O13	124.9°	121.0°
C6	C5	C4	113.8°	105.2°
C6	C5	N7	121.2°	113.0°
C6	C5	O2	94.0°	111.4°
N3	C4	C5	125.4°	120.5°
N3	C4	N9	130.0°	133.3°
C4	N3	H31	122.3°	122.5°
C5	C4	N9	104.5°	106.2°
C4	C5	N7	108.2°	102.6°
C4	C5	O2	103.8°	111.8°
C4	N9	C8	108.9°	112.1°
N7	C5	O2	114.1°	112.3°
C5	N7	C8	103.1°	105.5°
C5	N7	H7	128.4°	127.3°
C5	O2	O3	115.5°	114.0°
N9	C8	N7	113.3°	111.9°
N9	C8	O24	121.0°	124.0°
N7	C8	O24	125.6°	124.0°
C8	N7	H7	128.4°	127.2°
O2	O3	H3	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C6	H1	180.0°	179.7°
N1	C2	N3	O11	178.5°	180.0°
C2	N1	C6	C5	10.1°	5.0°
C2	N1	C6	O13	172.8°	175.0°
N1	C2	N3	C4	8.3°	1.8°
N1	C2	N3	H31	171.6°	178.1°
C6	N1	C2	N3	7.3°	12.7°
C6	N1	C2	O11	174.2°	167.2°
N1	C6	C5	O13	177.1°	180.0°
N1	C6	C5	C4	23.7°	30.4°
N1	C6	C5	N7	155.5°	141.5°
N1	C6	C5	O2	83.2°	90.9°
C2	N3	C4	H31	180.0°	179.9°
C2	N3	C4	C5	8.8°	33.6°
C2	N3	C4	N9	167.3°	143.7°
N3	C2	N1	H1	172.7°	167.0°
O11	C2	N3	C4	173.2°	178.3°
O11	C2	N1	H1	5.9°	13.1°
O11	C2	N3	H31	6.9°	1.9°
C6	C5	C4	N3	25.5°	46.4°
C6	C5	C4	N7	137.8°	118.4°
C6	C5	C4	O2	100.7°	121.1°
C6	C5	C4	N9	151.4°	131.6°
C6	C5	N7	O2	111.0°	127.1°
C6	C5	N7	C8	147.3°	124.3°
C6	C5	O2	O3	175.6°	54.3°
C5	C6	N1	H1	170.0°	175.3°
C6	C5	N7	H7	32.7°	55.6°
O13	C6	C5	C4	159.2°	149.6°
O13	C6	C5	N7	27.5°	38.4°
O13	C6	C5	O2	93.9°	89.1°
O13	C6	N1	H1	7.2°	4.7°
N3	C4	C5	N9	176.9°	177.9°
N3	C4	C5	N7	163.2°	164.8°
N3	C4	C5	O2	75.2°	74.7°
N3	C4	N9	C8	168.5°	167.6°
C4	C5	N7	O2	114.9°	120.1°
C5	C4	N9	C8	8.2°	9.9°
C4	C5	N7	C8	13.3°	11.5°
C4	C5	O2	O3	59.9°	171.7°
C5	C4	N3	H31	171.2°	146.3°
C4	C5	N7	H7	166.7°	168.4°
N9	C4	C5	N7	13.7°	13.2°
N9	C4	C5	O2	107.9°	107.3°
C4	N9	C8	N7	0.0°	2.4°
C4	N9	C8	O24	176.7°	177.6°
N9	C4	N3	H31	12.7°	36.4°
C5	N7	C8	N9	8.6°	6.7°
C5	N7	C8	H7	180.0°	179.9°
C5	N7	C8	O24	167.9°	173.3°
N7	C5	O2	O3	57.6°	73.6°
O2	C5	N7	C8	101.7°	108.6°
C5	O2	O3	H3	180.0°	180.0°
O2	C5	N7	H7	78.3°	71.5°
N9	C8	N7	O24	176.5°	180.0°
N9	C8	N7	H7	171.4°	173.3°
O24	C8	N7	H7	12.1°	6.7°

248636

PDB entries from 2026-02-04

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