English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

A1JTL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.38Å	1.33Å
N3	C2	doub	1.29Å	1.32Å	Aromatic
N3	C4	sing	1.35Å	1.38Å	Aromatic
C2	S14	sing	1.76Å	1.73Å	Aromatic
C5	C4	doub	1.41Å	1.41Å	Aromatic
C5	C6	sing	1.37Å	1.38Å	Aromatic
C4	C13	sing	1.40Å	1.38Å	Aromatic
C6	C7	doub	1.39Å	1.38Å	Aromatic
C13	S14	sing	1.76Å	1.72Å	Aromatic
C13	C12	doub	1.39Å	1.38Å	Aromatic
C7	C12	sing	1.38Å	1.39Å	Aromatic
C7	S8	sing	1.76Å	1.77Å
O11	S8	doub	1.42Å	1.43Å
S8	O10	doub	1.42Å	1.43Å
S8	N9	sing	1.66Å	1.60Å
C5	H17	sing	1.08Å	1.08Å
C6	H18	sing	1.08Å	1.08Å
C12	H21	sing	1.08Å	1.08Å
N1	H15	sing	0.97Å	1.00Å
N1	H16	sing	0.97Å	1.00Å
N9	H19	sing	0.97Å	1.00Å
N9	H20	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C2	N3	123.7°	124.8°
N1	C2	S14	121.0°	124.8°
C2	N1	H15	109.5°	120.0°
C2	N1	H16	109.5°	120.0°
C2	N3	C4	111.9°	117.9°
N3	C2	S14	115.3°	110.4°
N3	C4	C5	127.8°	128.7°
N3	C4	C13	112.0°	112.9°
C2	S14	C13	87.7°	90.5°
C4	C5	C6	119.4°	120.4°
C5	C4	C13	120.2°	118.4°
C4	C5	H17	120.3°	119.8°
C5	C6	C7	119.8°	120.6°
C6	C5	H17	120.3°	119.8°
C5	C6	H18	120.1°	119.7°
C4	C13	S14	113.1°	108.4°
C4	C13	C12	120.2°	120.4°
C6	C7	C12	120.7°	120.0°
C6	C7	S8	119.4°	120.0°
C7	C6	H18	120.1°	119.7°
S14	C13	C12	126.7°	131.2°
C13	C12	C7	119.7°	120.2°
C13	C12	H21	120.1°	119.9°
C12	C7	S8	119.9°	120.0°
C7	C12	H21	120.2°	119.9°
C7	S8	O11	107.0°	106.4°
C7	S8	O10	107.1°	106.4°
C7	S8	N9	108.5°	107.3°
O11	S8	O10	119.1°	123.1°
O11	S8	N9	107.4°	106.4°
O10	S8	N9	107.4°	106.4°
S8	N9	H19	109.5°	120.1°
S8	N9	H20	109.5°	120.0°
H15	N1	H16	109.4°	120.0°
H19	N9	H20	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	N3	S14	180.0°	179.8°
N1	C2	N3	C4	180.0°	179.8°
N1	C2	S14	C13	180.0°	180.0°
C2	N1	H15	H16	120.0°	179.9°
C2	N3	C4	C5	180.0°	179.8°
C2	N3	C4	C13	0.0°	0.3°
N3	C2	S14	C13	0.0°	0.2°
N3	C2	N1	H15	0.0°	179.6°
N3	C2	N1	H16	120.0°	0.3°
C4	N3	C2	S14	0.0°	0.0°
N3	C4	C5	C13	180.0°	179.4°
N3	C4	C5	C6	180.0°	179.4°
N3	C4	C13	S14	0.0°	0.5°
N3	C4	C13	C12	180.0°	179.8°
N3	C4	C5	H17	0.0°	0.7°
C2	S14	C13	C4	0.0°	0.4°
C2	S14	C13	C12	180.0°	180.0°
S14	C2	N1	H15	180.0°	0.1°
S14	C2	N1	H16	60.0°	180.0°
C4	C5	C6	H17	180.0°	180.0°
C4	C5	C6	C7	0.0°	0.0°
C5	C4	C13	S14	180.0°	180.0°
C5	C4	C13	C12	0.0°	0.4°
C4	C5	C6	H18	180.0°	180.0°
C6	C5	C4	C13	0.0°	0.0°
C5	C6	C7	H18	180.0°	180.0°
C5	C6	C7	C12	0.0°	0.4°
C5	C6	C7	S8	180.0°	180.0°
C4	C13	S14	C12	180.0°	179.6°
C4	C13	C12	C7	0.0°	0.8°
C13	C4	C5	H17	180.0°	180.0°
C4	C13	C12	H21	180.0°	180.0°
C6	C7	C12	C13	0.0°	0.8°
C6	C7	C12	S8	180.0°	179.6°
C6	C7	S8	O11	41.1°	23.6°
C6	C7	S8	O10	169.8°	156.5°
C6	C7	S8	N9	74.5°	90.0°
C7	C6	C5	H17	179.9°	180.0°
C6	C7	C12	H21	180.0°	180.0°
S14	C13	C12	C7	180.0°	179.6°
S14	C13	C12	H21	0.0°	0.5°
C13	C12	C7	H21	180.0°	179.2°
C13	C12	C7	S8	180.0°	179.6°
C12	C7	S8	O11	138.9°	156.9°
C12	C7	S8	O10	10.1°	24.0°
C12	C7	S8	N9	105.5°	89.6°
C12	C7	C6	H18	180.0°	179.6°
C7	S8	O11	O10	121.5°	123.0°
C7	S8	O11	N9	116.3°	114.2°
C7	S8	O10	N9	116.4°	114.1°
S8	C7	C6	H18	0.0°	0.0°
S8	C7	C12	H21	0.0°	0.4°
C7	S8	N9	H19	180.0°	150.0°
C7	S8	N9	H20	60.0°	30.0°
O11	S8	O10	N9	122.2°	122.9°
O11	S8	N9	H19	64.7°	96.4°
O11	S8	N9	H20	55.3°	83.6°
O10	S8	N9	H19	64.5°	36.4°
O10	S8	N9	H20	175.5°	143.6°
S8	N9	H19	H20	120.0°	180.0°
H17	C5	C6	H18	0.0°	0.0°

260626

PDB entries from 2026-10-07

PDB statistics

PDBj update info

Contact PDBj

numon